TABLE 9. Observed (FO) and calculated (FC) structure factors for sample 1. Tas27-2Ba H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 3 1-16 9.1 -9.9 1 9-12 20.3 20.0 2 8 -9 8.2 -7.3 1 3-16 11.3 11.6 3 9-12 26.9 26.9 5 7 -9 13.0 -12.8 2 6-15 13.3 -13.5 0 10-11 8.8 8.7 6 6 -9 20.6 -21.0 0 2-15 11.5 12.5 3 9-11 12.9 -11.7 7 5 -9 8.5 -10.2 1 1-15 10.5 -11.0 -1 9-11 10.9 10.8 5 5 -9 9.6 -9.5 -1 1-15 9.9 -9.2 0 8-11 12.9 13.9 0 4 -9 23.0 -22.8 0 0-15 16.1 -17.4 2 8-11 11.1 10.6 2 4 -9 8.3 -7.6 2 0-15 10.1 -10.1 3 7-11 9.8 -8.2 5 3 -9 24.5 -23.8 4 0-14 36.0 38.1 0 6-11 35.2 -34.8 3 3 -9 59.0 -57.9 2 0-14 28.8 30.0 2 6-11 13.0 -11.8 1 3 -9 62.0 -61.9 4 2-14 8.6 -8.9 1 5-11 16.0 -16.3 -1 3 -9 52.4 -51.4 -1 3-14 9.7 9.7 -1 5-11 9.0 -9.4 2 2 -9 25.0 -24.9 3 3-14 16.9 -16.5 0 4-11 23.5 24.0 6 2 -9 16.3 16.9 4 6-14 22.1 22.9 2 4-11 16.8 17.5 7 1 -9 11.9 -13.2 2 6-14 23.3 23.5 7 3-11 14.0 -15.5 5 1 -9 14.5 -15.2 1 9-13 20.8 -20.8 5 3-11 25.1 -24.8 0 0 -9 21.0 -21.4 -1 7-13 8.7 8.0 3 3-11 30.5 -29.5 2 0 -9 16.6 16.3 0 6-13 13.5 14.8 -1 3-11 13.8 14.4 6 0 -9 36.7 -36.7 2 6-13 9.9 9.6 0 2-11 16.0 15.7 3 1 -9 6.0 -5.5 4 6-13 22.8 -21.9 2 2-11 16.0 16.0 1 1 -8 15.0 -14.6 5 5-13 9.8 -9.1 4 2-11 12.3 12.0 3 1 -8 33.3 -33.5 4 4-13 13.5 13.4 3 1-11 7.0 -7.1 5 1 -8 21.1 -21.4 5 3-13 11.8 13.3 1 1-11 17.5 -17.1 8 0 -8 18.2 19.1 3 3-13 11.4 -11.1 -1 1-11 13.1 -13.0 6 0 -8 10.9 -11.9 1 3-13 42.5 -42.7 0 0-11 36.0 -35.9 4 0 -8 9.0 -9.7 -1 3-13 26.1 -27.2 2 0-11 12.2 -11.8 2 0 -8 33.3 32.9 2 2-13 10.6 10.2 -1 1-10 16.3 -16.0 0 0 -8 63.0 63.2 6 2-13 8.6 9.2 1 1-10 10.3 -10.0 6 2 -8 15.8 15.1 0 0-13 21.1 22.9 6 0-10 28.7 29.4 4 2 -8 14.2 14.2 4 0-13 20.9 -19.8 4 0-10 31.9 31.8 2 2 -8 23.2 23.5 6 0-13 22.5 -23.3 2 0-10 56.1 55.6 -1 3 -8 14.5 -14.9 5 1-13 8.9 -9.2 0 0-10 36.0 34.3 1 3 -8 16.3 -16.8 1 1-12 10.4 -10.4 2 2-10 14.7 -15.0 3 3 -8 49.0 49.5 3 1-12 11.3 -11.6 0 2-10 13.8 13.7 5 3 -8 55.5 54.3 6 0-12 21.9 22.9 -1 3-10 10.9 10.9 4 4 -8 30.9 29.9 2 0-12 16.4 -16.1 5 3-10 11.6 -11.7 2 4 -8 14.2 13.5 0 0-12 28.5 27.8 4 4-10 15.8 -16.0 0 4 -8 13.2 -13.2 4 2-12 16.1 16.2 1 5-10 10.4 -10.5 3 5 -8 30.3 -29.8 2 2-12 26.1 25.4 6 6-10 22.0 22.7 5 5 -8 18.1 -18.2 1 3-12 35.5 35.3 4 6-10 31.1 31.0 4 6 -8 21.2 -21.6 3 3-12 39.2 37.9 2 6-10 27.3 25.6 2 6 -8 26.6 25.1 5 3-12 13.7 14.3 0 6-10 27.6 27.6 0 6 -8 55.1 54.3 4 4-12 13.6 13.4 -1 7-10 13.5 -15.0 1 7 -8 14.6 -14.8 2 4-12 13.8 12.7 -1 9-10 11.5 11.9 3 7 -8 14.8 -14.8 0 4-12 16.2 15.9 -1 11-10 8.0 -8.0 5 7 -8 11.1 -12.4 1 5-12 9.1 -9.2 5 9 -9 9.0 -9.2 4 8 -8 16.4 15.8 0 6-12 9.6 9.9 3 9 -9 38.4 -36.0 2 8 -8 9.5 8.2 3 7-12 11.5 -11.5 1 9 -9 29.6 -28.9 0 8 -8 7.3 -7.1 4 8-12 8.4 8.2 -1 9 -9 21.0 -21.1 -1 9 -8 9.7 -9.8 2 8-12 9.2 9.4 0 8 -9 11.5 -11.4 3 9 -8 24.3 22.0 1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 5 9 -8 29.2 30.3 6 2 -6 10.1 -10.6 1 1 -5 10.4 9.0 4 10 -8 10.7 9.6 2 2 -6 31.6 33.5 0 0 -5 94.3 93.0 1 11 -8 7.3 -8.0 0 2 -6 20.1 20.5 2 0 -5 37.2 36.7 3 11 -8 8.9 -8.5 -1 3 -6 112.8 110.7 4 0 -5 36.1 -36.9 0 12 -8 19.5 19.8 1 3 -6 46.8 48.3 6 0 -5 13.0 -12.7 0 12 -7 17.9 -18.2 3 3 -6 32.3 -33.5 8 0 -5 14.0 -14.7 2 12 -7 28.2 -28.5 7 3 -6 11.2 11.5 -1 1 -4 7.4 7.4 1 11 -7 13.3 -13.5 0 4 -6 54.7 54.9 1 1 -4 17.0 -16.8 0 10 -7 13.0 13.3 -1 5 -6 29.3 -28.7 3 1 -4 32.4 -32.9 2 10 -7 15.7 16.0 1 5 -6 10.2 -10.2 5 1 -4 29.0 -28.5 5 9 -7 26.5 -25.8 3 5 -6 18.2 17.8 7 1 -4 13.2 -13.5 1 9 -7 19.4 20.1 5 5 -6 8.5 8.3 4 0 -4 18.7 18.2 -1 9 -7 21.6 -20.9 6 6 -6 22.1 22.2 2 0 -4 76.7 78.8 0 8 -7 22.9 23.1 4 6 -6 68.7 68.6 0 0 -4 50.9 52.9 2 8 -7 18.6 18.2 2 6 -6 75.3 73.8 6 2 -4 18.6 17.7 4 8 -7 10.1 10.3 -1 7 -6 11.8 -12.4 4 2 -4 32.6 33.0 3 7 -7 15.4 -14.9 5 7 -6 14.3 13.5 2 2 -4 22.8 -23.7 1 7 -7 28.5 -28.3 0 8 -6 24.1 24.1 -1 3 -4 35.1 -34.7 0 6 -7 47.1 -47.1 -1 9 -6 48.5 48.7 1 3 -4 39.9 43.4 2 6 -7 59.8 -59.9 1 9 -6 20.4 20.1 3 3 -4 27.5 28.5 4 6 -7 22.2 -20.8 0 10 -6 13.7 13.8 5 3 -4 28.5 27.6 6 6 -7 14.0 15.1 4 12 -6 27.4 27.5 7 3 -4 28.5 30.3 3 5 -7 13.7 -13.2 2 12 -6 25.9 24.8 6 4 -4 13.2 13.4 1 5 -7 23.0 -22.6 0 12 -5 12.0 13.3 4 4 -4 13.0 12.7 -1 5 -7 23.8 -24.2 1 11 -5 13.6 13.1 2 4 -4 24.5 24.9 0 4 -7 40.3 39.4 5 9 -5 10.2 -9.8 0 4 -4 21.4 -22.0 2 4 -7 21.8 21.5 3 9 -5 26.3 -25.8 -1 5 -4 18.2 18.5 4 4 -7 19.9 19.6 1 9 -5 64.5 -64.9 1 5 -4 13.8 -13.8 7 3 -7 35.1 -35.8 -1 9 -5 35.4 -35.3 3 5 -4 26.8 -26.5 5 3 -7 39.0 -38.5 1 7 -5 21.7 21.4 5 5 -4 18.8 -18.8 3 3 -7 8.4 8.3 0 6 -5 31.8 32.2 7 5 -4 10.4 -12.5 1 3 -7 21.2 21.9 2 6 -5 15.1 15.8 4 6 -4 22.8 21.4 -1 3 -7 32.0 -31.5 4 6 -5 8.1 -7.6 2 6 -4 21.0 20.3 0 2 -7 33.9 33.6 6 6 -5 17.3 -16.5 0 6 -4 61.8 61.4 2 2 -7 57.5 58.7 7 5 -5 10.5 -10.9 3 7 -4 12.6 -13.1 3 1 -7 20.4 -20.2 3 5 -5 16.9 16.8 5 7 -4 24.3 -23.2 1 1 -7 35.9 -36.6 -1 5 -5 5.2 5.3 6 8 -4 10.0 8.9 -1 1 -7 26.3 -25.7 0 4 -5 16.2 16.3 4 8 -4 8.9 8.9 0 0 -7 51.7 -51.9 4 4 -5 12.3 -11.8 0 8 -4 14.1 -13.2 2 0 -7 114.8 -115.9 6 4 -5 13.2 12.6 1 9 -4 8.1 7.4 4 0 -7 12.6 -12.9 5 3 -5 26.0 -24.6 3 9 -4 12.9 13.3 6 0 -7 20.2 21.8 3 3 -5 62.9 -63.5 5 9 -4 22.3 21.5 -1 1 -6 30.5 -30.2 1 3 -5 113.4 -115.2 4 10 -4 10.4 9.8 1 1 -6 8.5 -8.8 -1 3 -5 91.0 -90.7 5 11 -4 12.0 -13.0 3 1 -6 15.0 15.3 0 2 -5 8.7 -8.4 2 12 -4 8.5 9.5 5 1 -6 13.7 13.5 2 2 -5 12.5 -13.3 0 12 -4 20.0 20.0 6 0 -6 43.3 42.5 4 2 -5 14.8 13.7 3 13 -3 13.0 -12.8 4 0 -6 93.8 93.3 8 2 -5 7.6 8.8 1 13 -3 8.8 -9.1 2 0 -6 91.7 94.2 7 1 -5 11.4 -11.6 0 12 -3 15.8 -15.5 0 0 -6 35.7 36.3 3 1 -5 13.7 13.6 2 12 -3 22.0 -21.2 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 4 12 -3 24.7 -24.9 4 2 -2 21.9 -21.5 -1 5 -1 35.3 -36.9 3 11 -3 10.3 -10.5 2 2 -2 38.4 41.1 0 4 -1 38.8 39.7 1 11 -3 17.1 -17.0 0 2 -2 75.4 78.3 2 4 -1 24.9 -26.3 -1 11 -3 7.9 -7.4 -1 3 -2 37.5 39.2 5 3 -1 43.5 -41.7 2 10 -3 12.1 12.3 1 3 -2 89.2 90.4 3 3 -1 141.8 -140.1 3 9 -3 10.1 -9.1 3 3 -2 50.3 51.3 1 3 -1 107.6 -108.4 1 9 -3 22.1 -21.4 5 3 -2 26.9 -26.9 -1 3 -1 36.5 34.1 -1 9 -3 24.3 -23.4 7 3 -2 16.0 -17.4 0 2 -1 10.9 10.8 2 8 -3 23.9 23.3 6 4 -2 13.5 -13.1 2 2 -1 40.5 40.4 4 8 -3 12.9 12.7 2 4 -2 12.2 13.6 4 2 -1 14.9 -15.0 5 7 -3 14.7 -14.6 0 4 -2 26.7 29.8 8 2 -1 11.0 11.2 3 7 -3 24.0 -23.6 -1 5 -2 58.0 -58.2 3 1 -1 23.8 23.8 1 7 -3 40.4 -40.6 1 5 -2 27.7 -29.1 1 1 -1 13.4 11.2 -1 7 -3 21.7 -21.1 3 5 -2 16.2 -15.9 -1 1 -1 37.5 -40.4 0 6 -3 26.5 -28.0 6 6 -2 52.2 52.9 0 0 -1 46.6 -50.8 2 6 -3 60.2 -60.0 4 6 -2 43.1 41.9 2 0 -1 50.6 47.6 4 6 -3 62.3 -60.2 0 6 -2 10.4 11.1 4 0 -1 60.6 58.8 6 6 -3 14.4 -15.9 -1 7 -2 30.4 -30.9 6 0 -1 17.8 -16.8 5 5 -3 11.8 -11.0 1 7 -2 42.7 -43.3 8 0 -1 23.6 -24.9 3 5 -3 50.2 -51.0 5 7 -2 10.2 9.6 1 1 0 29.9 30.6 1 5 -3 41.4 -42.5 6 8 -2 8.8 -9.1 5 1 0 17.7 -17.0 -1 5 -3 14.0 -14.2 2 8 -2 9.2 9.2 7 1 0 10.9 -11.3 0 4 -3 13.7 -15.0 0 8 -2 21.3 21.1 6 0 0 9.2 8.8 2 4 -3 43.3 44.0 -1 9 -2 27.3 26.4 2 0 0 109.5 108.7 4 4 -3 21.5 21.5 1 9 -2 58.7 58.2 8 2 0 9.4 9.3 7 3 -3 27.7 -28.4 3 9 -2 17.1 17.0 6 2 0 14.4 13.5 3 3 -3 10.5 -11.8 5 9 -2 15.8 -17.0 4 2 0 31.5 31.8 1 3 -3 96.2 -99.6 2 10 -2 8.6 8.6 2 2 0 40.2 41.8 -1 3 -3 75.0 -77.1 0 10 -2 18.7 18.6 0 2 0 35.1 -33.6 0 2 -3 56.8 57.0 -1 11 -2 15.5 -15.7 1 3 0 49.0 -47.2 2 2 -3 14.9 15.4 1 11 -2 21.7 -20.9 3 3 0 50.1 50.9 4 2 -3 15.5 15.8 4 12 -2 16.6 18.0 5 3 0 59.6 58.7 8 2 -3 9.2 -8.5 -1 13 -2 12.5 -12.5 7 3 0 19.8 20.8 5 1 -3 18.4 -18.4 0 12 -1 14.1 -14.8 6 4 0 23.0 23.3 3 1 -3 60.7 -62.5 2 12 -1 15.3 16.6 4 4 0 18.7 18.4 1 1 -3 73.1 -75.7 4 12 -1 12.4 13.0 0 4 0 40.5 42.3 -1 1 -3 36.6 -37.9 3 11 -1 8.8 8.7 1 5 0 14.4 15.9 0 0 -3 97.6 -99.8 5 9 -1 25.9 -27.1 3 5 0 11.5 10.6 2 0 -3 38.2 -40.3 3 9 -1 63.2 -61.7 5 5 0 15.8 -15.9 4 0 -3 79.4 -78.9 1 9 -1 42.5 -41.2 7 5 0 8.4 -10.2 6 0 -3 35.4 -33.5 0 8 -1 13.1 13.1 2 6 0 88.5 87.6 8 0 -3 13.1 13.6 2 8 -1 10.8 -10.3 0 6 0 142.1 139.3 -1 1 -2 80.4 -79.6 5 7 -1 10.9 10.6 1 7 0 26.1 26.9 1 1 -2 61.3 -61.7 3 7 -1 11.4 11.5 6 8 0 12.0 12.7 3 1 -2 18.0 -17.5 0 6 -1 49.4 -50.5 4 8 0 12.1 11.3 5 1 -2 8.7 8.8 2 6 -1 58.8 58.1 1 9 0 26.2 -25.8 8 0 -2 17.8 18.5 4 6 -1 27.1 26.7 3 9 0 32.4 31.7 6 0 -2 65.2 63.5 6 6 -1 15.4 -15.1 5 9 0 27.1 28.8 4 0 -2 90.8 88.9 3 5 -1 23.5 24.4 4 10 0 9.3 8.9 2 0 -2 37.4 -34.8 1 5 -1 18.5 18.1 1 11 0 13.5 12.7 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 2 12 0 25.9 27.1 2 12 3 10.0 -10.1 3 1 5 16.4 -16.1 0 12 0 49.4 51.3 2 10 3 8.4 -7.5 2 0 5 46.1 -47.0 1 13 1 7.7 -7.5 4 10 3 7.9 -7.7 4 0 5 56.1 -55.9 2 12 1 26.9 -28.2 5 9 3 29.0 -30.9 6 0 5 18.9 -19.5 4 12 1 12.3 -13.3 3 9 3 37.2 -37.8 3 1 6 19.6 -18.9 3 11 1 13.3 -13.2 4 8 3 8.6 -8.7 6 0 6 29.8 31.4 2 10 1 15.0 15.4 3 7 3 9.0 9.7 4 0 6 23.2 22.8 4 10 1 12.2 13.3 2 6 3 35.0 -35.0 2 0 6 20.7 -21.5 5 9 1 8.3 -7.2 6 6 3 11.6 12.9 4 2 6 21.0 21.2 2 8 1 25.3 25.3 4 4 3 11.5 -10.8 2 2 6 51.6 50.2 4 8 1 14.8 15.4 7 3 3 22.2 -23.2 3 3 6 46.3 44.9 5 7 1 14.7 -14.5 5 3 3 60.4 -62.2 4 4 6 11.5 12.1 3 7 1 28.8 -28.5 3 3 3 60.9 -59.8 2 4 6 33.1 32.0 2 6 1 76.9 -76.3 2 2 3 25.8 -26.6 3 5 6 10.3 -11.2 4 6 1 27.6 -26.3 4 2 3 21.7 -20.9 6 6 6 17.3 18.3 6 6 1 15.2 -15.0 2 0 3 40.1 -42.5 4 6 6 18.3 20.2 5 5 1 12.7 -12.7 4 0 3 14.5 14.8 2 6 6 7.6 -8.6 3 5 1 25.3 -25.6 5 1 4 8.9 -8.6 0 6 6 7.2 -7.6 2 4 1 50.8 51.0 4 0 4 71.4 69.6 3 7 6 16.7 -17.8 4 4 1 18.9 18.0 2 0 4 111.5 111.8 2 8 6 19.6 19.6 6 4 1 10.8 10.8 4 2 4 9.0 -8.8 3 9 6 28.3 30.8 7 3 1 8.9 -9.3 3 3 4 30.8 -31.4 2 10 6 16.5 17.1 5 3 1 21.3 -21.0 5 3 4 18.7 18.8 5 9 7 12.6 -11.8 3 3 1 10.7 -10.9 7 3 4 26.1 26.2 3 9 7 22.7 -24.7 2 2 1 34.9 35.3 4 4 4 9.5 10.3 4 6 7 8.7 9.4 4 2 1 48.2 48.0 2 4 4 18.6 -18.2 5 5 7 7.9 8.0 5 1 1 20.1 -19.3 5 5 4 8.2 -8.4 2 4 7 13.6 14.1 3 1 1 40.0 -40.5 4 6 4 33.1 34.5 4 4 7 11.9 -12.0 2 0 1 90.3 -89.8 2 6 4 89.0 86.3 5 3 7 24.5 -25.9 4 0 1 59.4 -58.6 2 8 4 10.9 -11.2 3 3 7 51.9 -51.9 6 0 1 13.3 -12.7 3 9 4 17.8 -18.5 5 1 7 7.6 7.5 3 1 2 34.1 -33.4 4 12 4 15.8 16.0 2 0 7 15.9 16.1 8 0 2 25.3 25.1 2 12 4 30.1 31.2 6 0 8 10.1 10.0 6 0 2 24.7 23.8 3 9 5 8.8 9.9 4 0 8 22.9 22.7 4 0 2 20.9 19.8 2 8 5 8.3 7.9 2 0 8 61.7 59.0 2 0 2 98.9 98.4 4 8 5 15.2 16.8 2 2 8 26.1 -26.1 8 2 2 7.7 -7.6 3 7 5 14.2 -14.5 4 6 8 19.0 20.2 4 2 2 8.5 9.1 2 6 5 12.4 -11.8 2 6 8 26.5 27.8 3 3 2 26.5 27.4 4 6 5 46.3 -47.5 2 8 8 7.5 -7.4 5 3 2 7.6 7.4 6 6 5 16.8 -17.2 2 12 8 12.9 12.5 6 4 2 9.0 -9.4 5 5 5 14.0 -15.0 3 9 9 17.4 -18.1 2 4 2 49.2 49.1 3 5 5 9.5 -8.8 4 6 9 10.3 -11.0 3 5 2 28.3 -27.8 2 4 5 6.6 6.4 3 5 9 11.1 -12.1 6 6 2 18.4 19.4 4 4 5 26.5 26.9 3 3 9 25.0 -25.6 4 6 2 23.8 23.0 6 4 5 11.0 13.0 5 1 9 9.1 -9.2 2 6 2 17.8 17.7 5 3 5 18.1 18.8 3 1 9 13.1 -12.9 3 7 2 11.6 -11.9 2 2 5 44.7 44.2 4 0 9 10.4 -9.7 2 8 2 20.6 20.0 4 2 5 22.3 21.2 6 0 9 24.0 -21.9 3 9 2 10.7 11.4 6 2 5 10.3 11.4 3 1 10 13.7 -14.1 2 10 2 9.5 10.4 5 1 5 16.0 -16.0 2 2 10 18.5 19.5 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 3 3 10 30.6 32.4 2 6 11 15.3 -16.9 2 0 12 38.0 38.8 5 3 10 18.6 17.6 2 4 11 7.3 7.2 3 3 12 13.2 -14.0 4 4 10 11.5 12.1 5 3 11 20.4 -18.0 3 5 12 8.5 7.8 2 4 10 9.6 9.7 3 3 11 9.7 -9.7 2 6 12 31.2 31.5 3 5 10 10.6 -12.1 2 2 11 20.4 20.9 4 0 13 12.8 -11.5 4 6 10 9.7 -10.3 2 0 11 35.0 -33.5 2 4 14 9.4 8.2 3 9 10 17.6 18.1 4 0 12 20.6 19.2 2 0 15 10.8 -9.9 1 7 11 8.4 -9.1 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 2. Tas27-2Bb H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -1 1 -1 41.7 -45.1 -1 7 2 48.1 -49.6 -1 9 -3 30.3 -29.8 -1 1 1 14.4 12.9 -1 7 3 46.1 -47.7 -1 9 -2 32.5 32.7 -1 1 2 67.9 -68.9 -1 7 4 7.0 7.2 -1 7-14 8.6 -8.2 -1 1 3 82.6 -80.1 -1 7 5 25.8 25.3 -1 7-13 12.9 14.0 -1 1 4 19.5 -19.6 -1 7 7 35.5 -35.6 -1 7-12 6.6 6.8 -1 1 5 11.8 9.7 -1 7 8 19.6 -19.4 -1 7-11 13.5 -15.0 -1 1 6 9.2 -10.2 -1 7 11 8.1 -8.2 -1 7-10 21.0 -21.7 -1 1 7 41.0 -40.7 -1 7 12 7.5 -7.9 -1 7 -9 8.0 -8.0 -1 1 8 16.7 -17.2 -1 9 -1 8.1 -7.4 -1 7 -8 8.7 8.9 -1 1 10 12.4 -12.2 1 9 0 30.8 -31.9 -1 7 -7 8.2 -8.5 -1 1 11 22.8 -22.5 -1 9 1 50.8 -50.6 -1 7 -6 16.1 -14.7 -1 1 12 14.5 -13.9 -1 9 2 73.0 72.9 -1 7 -5 4.7 -4.2 -1 1 13 7.6 7.2 -1 9 3 26.4 -27.0 -1 7 -3 25.4 -25.6 -1 1 15 19.5 -18.5 -1 9 4 9.3 9.5 -1 7 -2 35.2 -35.8 -1 1 16 13.5 -13.3 -1 9 5 85.2 -84.5 -1 5-14 11.8 -11.6 1 1 0 32.4 35.4 -1 9 6 27.2 26.8 -1 5-13 5.7 6.2 -1 1 9 5.1 4.9 -1 9 7 27.2 27.3 -1 5-11 13.3 -14.1 -1 3 -1 40.2 35.9 -1 9 9 42.2 -42.0 -1 5-10 11.9 -13.0 1 3 0 53.3 -50.9 -1 9 12 33.9 34.4 -1 5 -7 30.3 -30.1 -1 3 1 116.9 -119.2 -1 9 13 37.5 -37.4 -1 5 -6 34.3 -34.1 -1 3 2 97.6 96.2 1 11 0 17.8 17.9 -1 5 -4 21.0 20.7 -1 3 3 107.5 -109.0 -1 11 2 28.3 -28.6 -1 5 -3 15.4 -15.6 -1 3 4 45.3 46.2 -1 11 3 24.1 -24.2 -1 5 -2 64.5 -65.3 -1 3 5 130.2 -128.7 -1 11 4 5.3 5.0 -1 3-15 13.0 -11.8 -1 3 6 54.2 53.5 -1 11 5 18.9 18.8 -1 3-14 18.4 17.7 -1 3 7 25.0 24.0 -1 11 7 20.7 -20.5 -1 3-13 46.4 -45.2 -1 3 8 18.3 -20.3 -1 11 8 12.1 -11.9 -1 3-11 21.1 21.0 -1 3 9 74.7 -75.6 -1 13 -1 11.9 -12.0 -1 3-10 15.1 15.1 -1 3 12 50.5 50.6 1 13 0 11.1 10.8 -1 3 -9 66.1 -67.6 -1 3 13 65.6 -64.4 -1 13 1 8.7 8.5 -1 3 -8 18.4 -18.2 -1 3 14 5.8 -5.9 -1 13 2 8.5 -8.5 -1 3 -7 37.3 -39.1 -1 3 15 10.1 -9.7 -1 13 3 14.7 -14.7 -1 3 -6 131.6 131.1 -1 3 16 20.5 21.0 -1 13 7 11.0 -10.4 -1 3 -5 104.1 -104.3 -1 5 -1 39.3 -40.2 -1 13 -7 12.3 -11.5 -1 3 -4 40.0 -38.2 1 5 0 15.4 15.9 -1 13 -6 11.3 -11.6 -1 3 -3 86.2 -84.9 -1 5 1 20.2 19.4 -1 13 -4 13.2 12.6 -1 3 -2 42.7 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4 2 -4 36.1 37.8 4 12 -7 12.5 -12.6 5 11 -4 20.3 -20.8 4 2 -5 16.0 15.9 5 1 -1 7.9 7.6 5 11 -3 10.9 -11.7 4 2 -7 8.1 7.4 5 1 0 21.6 -20.8 5 11 -2 9.1 8.6 4 2 -8 15.7 16.4 5 1 1 24.2 -24.1 5 9 -9 15.3 -14.0 4 2-10 5.4 -6.2 5 1 3 6.0 5.7 5 9 -8 45.8 45.5 4 2-11 16.5 15.2 5 1 4 12.2 -11.6 5 9 -7 39.3 -38.4 4 2-12 23.7 22.1 5 1 5 23.1 -22.9 5 9 -6 10.1 -10.4 4 2-13 8.4 8.7 5 1 7 11.5 12.0 5 9 -5 14.6 -14.2 4 2-14 13.4 -13.5 5 1 8 5.4 -5.5 5 9 -4 32.0 31.9 4 2-15 7.2 -8.6 5 1 9 16.1 -16.5 5 9 -2 24.8 -24.1 4 4 -2 8.4 8.6 5 1 10 12.4 -11.4 5 7 -9 20.3 -18.3 4 4 -3 24.6 24.2 5 1 11 6.4 6.6 5 7 -8 15.8 -16.4 4 4 -4 14.5 14.6 5 3 -1 52.0 -51.3 5 7 -7 7.1 7.6 4 4 -5 13.2 -14.0 5 3 0 73.6 73.3 5 7 -6 19.1 18.9 4 4 -7 23.2 23.6 5 3 1 26.8 -26.8 5 7 -5 5.8 -5.3 4 4 -8 36.1 36.6 5 3 2 9.0 9.6 5 7 -4 29.2 -30.6 4 4-10 19.9 -20.2 5 3 3 81.7 -84.4 5 7 -3 19.4 -19.4 4 4-12 19.8 19.0 5 3 4 26.4 27.0 5 7 -2 13.3 13.0 4 4-13 19.5 19.3 5 3 5 27.0 26.8 5 5-13 13.9 -14.3 4 4-15 7.4 -8.0 5 3 7 42.8 -42.2 5 5-12 10.8 -11.1 4 6 -2 50.4 50.7 5 3 8 6.0 -5.8 5 5-10 11.1 11.3 4 6 -3 73.0 -73.2 5 3 10 35.3 34.1 5 5 -9 12.0 -12.0 4 6 -4 27.3 27.0 5 3 11 38.7 -37.3 5 5 -8 23.8 -23.6 4 6 -5 9.3 -9.5 5 5 0 20.8 -20.6 5 5 -6 10.9 10.6 4 6 -6 86.7 85.1 5 5 1 15.7 -16.8 5 5 -4 22.5 -22.8 4 6 -7 27.5 -27.2 5 5 2 5.7 5.8 5 5 -3 13.0 -13.3 4 6 -8 26.4 -27.4 5 5 3 8.2 8.7 5 5 -2 6.0 6.7 4 6-10 41.3 42.4 5 5 4 11.1 -12.3 5 3-14 6.4 -7.2 4 6-11 5.7 6.4 5 5 5 22.1 -22.9 5 3-13 19.0 19.3 4 6-13 33.8 -34.7 5 5 7 13.4 13.6 5 3-12 20.2 20.5 4 6-14 38.6 37.6 5 5 9 13.0 -12.9 5 3-11 33.9 -33.7 4 8 -3 17.3 16.0 5 5 10 12.1 -12.1 5 3-10 14.8 -14.6 4 8 -4 11.9 11.5 5 7 -1 14.8 14.8 5 3 -9 30.4 -31.0 4 8 -5 6.0 -5.8 5 7 0 8.9 -9.8 5 3 -8 67.1 68.6 4 8 -6 5.3 -5.8 5 7 1 21.1 -20.9 5 3 -7 45.8 -47.3 4 8 -7 13.9 14.1 5 7 5 10.0 -10.3 5 3 -6 6.7 -6.9 4 8 -8 22.3 21.7 5 7 8 9.0 -8.5 5 3 -5 31.4 -30.2 4 8-10 13.8 -14.8 5 7 9 12.8 -13.8 5 3 -4 34.1 33.4 4 8-12 13.6 13.6 5 9 -1 39.9 -40.4 5 3 -3 8.0 -7.8 4 10 -2 5.7 -6.0 5 9 0 41.7 42.6 5 3 -2 32.4 -31.5 4 10 -3 11.5 11.0 5 9 1 11.3 -10.4 5 1-13 14.5 -13.8 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 5 1-12 9.6 -9.7 6 0 -3 42.6 -43.0 7 3 5 14.9 -13.8 5 1-10 8.6 8.3 6 0 -4 6.3 -6.8 7 5 0 15.5 -16.1 5 1 -9 18.5 -18.6 6 0 -5 16.3 -16.0 7 5 4 8.6 -9.4 5 1 -8 26.1 -26.0 6 0 -6 55.4 54.6 7 7 -1 7.6 -7.3 5 1 -6 16.7 16.1 6 0 -7 25.2 26.4 7 7 0 9.5 -9.7 5 1 -5 4.7 -4.1 6 0 -8 14.4 -15.3 7 7 2 7.6 8.1 5 1 -4 33.0 -33.0 6 0 -9 48.4 -49.1 7 7 -6 7.4 6.9 5 1 -3 21.4 -21.0 6 0-10 40.6 40.2 7 7 -5 5.6 -6.8 5 1 -2 9.8 9.8 6 0-11 5.6 6.2 7 7 -4 9.5 -9.4 6 10 2 9.6 -8.9 6 0-12 33.5 33.4 7 5-10 5.9 -6.0 6 10 0 15.2 14.5 6 0-13 36.3 -35.4 7 5 -9 14.3 -15.0 6 8 5 14.0 14.8 6 2 -3 9.5 9.1 7 5 -7 12.7 12.5 6 8 4 6.6 6.4 6 2 -4 22.3 22.4 7 5 -5 17.7 -16.1 6 8 3 9.1 -8.5 6 2 -5 5.6 5.3 7 5 -4 17.4 -17.9 6 8 2 9.8 -10.1 6 2 -6 13.8 -14.3 7 5 -2 12.5 12.6 6 8 1 11.2 10.8 6 2 -8 20.3 20.5 7 3-11 23.3 -23.3 6 8 0 22.0 20.0 6 2 -9 22.6 22.2 7 3 -9 13.0 12.8 6 6 6 30.9 33.0 6 2-11 13.1 -12.8 7 3 -8 14.5 14.6 6 6 5 29.4 -30.1 6 2-13 14.5 13.6 7 3 -7 47.3 -50.5 6 6 3 20.0 19.8 6 4 -2 18.5 -17.7 7 3 -6 16.1 16.2 6 6 2 31.8 30.3 6 4 -3 8.0 -8.5 7 3 -5 10.5 -10.3 6 6 1 24.1 -23.5 6 4 -4 18.4 17.5 7 3 -4 43.7 43.0 6 6 -1 21.6 -21.5 6 4 -5 17.7 16.9 7 3 -3 42.7 -40.5 6 4 5 21.4 21.1 6 4 -8 7.3 7.4 7 3 -2 23.1 -24.2 6 4 4 8.8 9.0 6 4-12 12.2 12.7 7 1-11 8.2 8.2 6 4 3 13.1 -14.2 6 6 -2 75.0 74.2 7 1 -9 18.8 -18.2 6 4 2 12.7 -13.5 6 6 -3 21.9 -21.8 7 1 -7 10.5 11.1 6 4 1 15.3 15.3 6 6 -5 23.6 -23.7 7 1 -6 6.0 6.0 6 4 0 32.9 32.5 6 6 -6 31.4 30.7 7 1 -5 16.2 -15.9 6 4 -1 7.6 7.1 6 6 -7 20.5 20.1 7 1 -4 18.0 -17.9 6 2 9 14.6 15.4 6 6 -9 28.7 -30.3 7 1 -2 10.4 10.7 6 2 8 6.1 6.2 6 6-10 32.3 33.5 8 4 0 6.9 8.2 6 2 7 10.7 -11.3 6 8 -2 13.8 -13.8 8 2 2 13.5 -13.7 6 2 6 8.3 -8.1 6 8 -4 14.1 13.5 8 2 0 17.2 15.9 6 2 5 18.0 18.0 6 8 -5 10.8 10.8 8 2 -1 19.8 18.1 6 2 4 17.5 18.4 6 8 -8 6.6 6.2 8 0 3 13.5 -12.7 6 2 2 8.9 -9.5 6 8 -9 9.7 8.5 8 0 2 45.5 44.7 6 2 1 6.7 6.1 6 10 -2 6.8 -7.1 8 0 1 11.3 -10.3 6 2 0 18.4 17.6 6 10 -4 10.2 10.3 8 0 0 9.9 8.3 6 0 9 43.9 -43.8 7 1 -1 6.5 -5.7 8 0 -1 41.3 -40.4 6 0 8 17.3 18.5 7 1 0 16.7 -16.7 8 0 -2 29.9 29.2 6 0 6 49.8 52.0 7 1 2 6.3 6.3 8 0 -3 20.8 20.3 6 0 5 31.3 -31.5 7 1 4 13.3 -13.5 8 0 -5 23.2 -23.2 6 0 4 11.2 -11.7 7 1 5 6.7 -6.6 8 0 -6 9.9 10.3 6 0 3 9.5 9.9 7 1 6 8.7 8.8 8 0 -8 28.6 28.7 6 0 2 35.8 34.4 7 3 0 30.2 32.4 8 2 -3 13.8 -13.7 6 0 1 18.8 -17.7 7 3 1 12.5 -14.4 8 2 -5 13.2 13.0 6 0 0 12.7 12.2 7 3 2 8.2 -10.1 8 2 -6 6.6 6.8 6 0 -1 23.2 -22.1 7 3 3 37.8 -38.1 8 4 -4 9.3 8.5 6 0 -2 80.1 80.7 7 3 4 44.9 45.1 8 4 -5 12.7 12.7 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 3. Tag15-4 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 0 12 -3 19.0 -18.6 3 3 -2 56.4 58.0 5 9 -1 32.9 -33.5 2 12 -3 24.1 -24.1 5 3 -2 22.7 -22.5 3 9 -1 68.2 -68.2 4 12 -3 26.6 -27.3 7 3 -2 15.4 -15.3 1 9 -1 49.9 -47.7 1 11 -3 21.2 -20.2 4 2 -2 20.0 -20.8 -1 9 -1 12.6 -12.3 2 10 -3 14.2 14.6 2 2 -2 40.4 41.7 -4 8 -1 15.9 16.6 3 9 -3 15.2 -14.3 0 2 -2 79.6 80.6 -2 8 -1 26.7 25.6 1 9 -3 27.2 -25.7 -3 1 -2 37.1 -37.9 0 8 -1 14.0 12.6 -1 9 -3 29.6 -28.3 -1 1 -2 85.8 -85.6 2 8 -1 10.2 -10.2 -3 9 -3 45.9 -45.5 1 1 -2 63.4 -64.9 -3 7 -1 30.4 -30.3 -5 9 -3 37.2 -38.6 3 1 -2 19.0 -19.5 -5 7 -1 17.1 -17.6 2 8 -3 24.5 24.1 6 0 -2 72.0 71.9 -6 6 -1 21.0 -20.5 3 7 -3 25.3 -24.4 4 0 -2 98.8 100.0 -4 6 -1 33.1 -32.1 1 7 -3 42.4 -42.8 2 0 -2 24.5 -23.4 -2 6 -1 84.3 -83.1 -1 7 -3 24.1 -23.1 -2 0 -2 113.6 113.0 0 6 -1 56.2 -56.6 -3 7 -3 11.7 10.1 -4 0 -2 27.3 27.7 2 6 -1 53.9 53.3 -6 6 -3 13.8 12.4 -6 0 -2 33.5 32.4 4 6 -1 23.9 23.0 -2 6 -3 43.3 -42.6 -8 0 -2 33.9 34.3 6 6 -1 19.1 -18.4 0 6 -3 33.4 -35.7 -4 2 -2 11.1 12.2 3 5 -1 21.4 22.7 2 6 -3 65.7 -66.0 6 4 -2 13.9 -12.7 1 5 -1 15.9 16.6 4 6 -3 62.6 -64.2 2 4 -2 12.3 13.3 -1 5 -1 38.8 -39.0 3 5 -3 52.5 -53.1 0 4 -2 28.4 29.9 -3 5 -1 27.0 -27.9 1 5 -3 43.5 -44.8 -2 4 -2 50.8 52.1 -5 5 -1 16.7 -15.2 -1 5 -3 16.7 -16.9 -3 5 -2 30.4 -30.4 -6 4 -1 14.1 14.0 2 4 -3 46.4 47.0 -1 5 -2 58.4 -60.5 -4 4 -1 20.1 20.5 4 4 -3 23.5 23.6 1 5 -2 28.1 -28.8 -2 4 -1 53.0 53.5 7 3 -3 33.8 -34.8 3 5 -2 16.4 -16.4 0 4 -1 40.9 41.8 3 3 -3 20.4 -21.2 6 6 -2 59.5 60.2 2 4 -1 23.2 -24.1 1 3 -3 110.1 -111.9 4 6 -2 49.0 49.1 5 3 -1 51.3 -50.7 -1 3 -3 89.1 -87.6 0 6 -2 19.4 19.7 3 3 -1 155.0 -155.4 -3 3 -3 72.8 -70.8 -2 6 -2 25.3 24.6 1 3 -1 124.2 -123.7 -5 3 -3 76.7 -75.9 -4 6 -2 32.2 30.0 -1 3 -1 25.0 23.5 -7 3 -3 32.0 -32.6 -6 6 -2 26.7 26.4 -3 3 -1 20.3 -20.9 -4 2 -3 22.2 -21.8 -3 7 -2 14.7 -15.0 -5 3 -1 29.4 -28.5 -2 2 -3 24.5 -25.7 -1 7 -2 33.0 -33.9 -7 3 -1 15.0 -14.7 0 2 -3 59.3 60.4 1 7 -2 44.1 -45.7 -4 2 -1 52.4 51.8 2 2 -3 15.7 17.3 2 8 -2 13.0 11.0 -2 2 -1 36.1 37.1 4 2 -3 15.2 16.9 0 8 -2 24.6 23.7 0 2 -1 11.1 12.0 5 1 -3 20.1 -19.7 -2 8 -2 23.2 23.4 2 2 -1 41.5 42.3 3 1 -3 61.0 -63.4 -3 9 -2 16.4 15.9 4 2 -1 13.3 -14.2 1 1 -3 75.9 -78.2 -1 9 -2 31.9 31.0 3 1 -1 21.4 23.2 -1 1 -3 40.3 -40.2 1 9 -2 64.7 62.5 1 1 -1 13.7 12.4 -2 0 -3 53.2 -54.4 3 9 -2 18.9 19.6 -1 1 -1 40.3 -39.7 0 0 -3 116.7 -115.6 0 10 -2 20.0 20.0 -3 1 -1 40.5 -41.7 2 0 -3 46.9 -49.1 -1 11 -2 17.5 -16.1 -5 1 -1 21.7 -22.1 4 0 -3 83.6 -84.6 1 11 -2 22.7 -20.7 -6 0 -1 19.6 -18.4 6 0 -3 38.5 -38.1 -1 13 -2 15.4 -14.5 -4 0 -1 68.0 -68.3 5 3 -3 14.0 -13.8 -4 12 -1 16.2 -16.6 -2 0 -1 101.3 -101.8 -3 3 -2 34.8 36.6 -2 12 -1 32.7 -31.3 0 0 -1 64.7 -64.3 -1 3 -2 47.9 48.8 -4 10 -1 16.9 15.5 2 0 -1 40.4 39.5 1 3 -2 98.4 100.6 -2 10 -1 16.6 16.5 4 0 -1 55.1 54.1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 6 0 -1 20.8 -20.9 7 3 4 32.1 33.6 5 5 5 19.0 -19.0 8 0 -1 29.5 -30.2 -2 2 4 21.4 -21.4 -3 5 5 15.4 14.5 7 3 0 26.4 26.6 -4 2 4 33.5 35.1 -6 4 5 13.9 14.0 5 3 0 67.1 65.7 -6 2 4 19.8 19.6 0 4 5 16.9 17.5 3 3 0 57.3 57.6 -5 1 4 29.6 -29.8 4 4 5 31.4 31.1 1 3 0 40.1 -39.6 -3 1 4 34.1 -35.3 5 3 5 17.7 16.2 6 2 0 15.1 15.3 -1 1 4 20.8 -19.4 1 3 5 106.8 -106.7 4 2 0 33.9 34.2 4 0 4 88.6 86.0 -1 3 5 127.2 -129.1 2 2 0 43.7 43.4 2 0 4 131.8 129.9 -3 3 5 69.6 -71.1 0 2 0 32.4 -33.1 0 0 4 66.2 63.4 -5 3 5 31.5 -30.3 8 2 0 12.4 11.9 -2 0 4 87.2 87.7 -4 2 5 15.6 15.7 5 1 0 19.0 -18.9 -4 0 4 26.7 26.0 -2 2 5 11.9 -12.3 1 1 0 28.6 28.8 -7 1 4 16.7 -14.7 2 2 5 46.5 47.3 7 1 0 13.6 -13.3 2 4 4 20.1 -19.6 4 2 5 24.8 24.0 6 0 0 16.7 16.4 0 4 4 21.5 -22.6 5 1 5 18.8 -19.4 4 0 0 12.4 10.4 -2 4 4 26.6 26.0 3 1 5 17.2 -17.4 2 0 0 125.0 125.4 -4 4 4 14.5 14.1 -3 1 5 12.2 12.3 6 4 0 26.1 26.0 -6 4 4 15.7 15.1 -8 0 5 17.2 -18.0 4 4 0 19.0 19.1 -5 5 4 19.0 -19.2 -6 0 5 17.2 -17.2 0 4 0 42.0 42.7 -3 5 4 28.0 -28.2 -4 0 5 42.4 -43.5 5 5 0 17.0 -17.4 -1 5 4 16.3 -15.1 -2 0 5 29.6 29.3 3 5 0 11.0 10.5 1 5 4 18.1 19.3 0 0 5 92.8 90.9 1 5 0 14.6 14.6 4 6 4 43.8 44.7 2 0 5 54.2 -54.5 4 6 0 12.9 13.3 2 6 4 100.4 99.0 4 0 5 67.4 -66.1 2 6 0 98.3 98.1 0 6 4 69.8 69.9 6 0 5 26.5 -27.4 0 6 0 153.4 152.8 -2 6 4 28.3 26.4 -7 1 5 12.2 -13.0 1 7 0 23.9 25.1 -4 6 4 28.3 27.2 6 2 5 14.2 14.3 4 8 0 15.4 13.8 -5 7 4 25.8 -25.2 -3 3 6 29.3 -29.9 6 8 0 16.5 15.3 -3 7 4 13.8 -14.7 -1 3 6 51.9 53.9 5 9 0 31.9 32.5 2 8 4 11.8 -9.8 1 3 6 124.8 124.0 3 9 0 37.1 35.4 0 8 4 13.9 -11.3 3 3 6 57.4 56.0 1 9 0 23.2 -23.2 -4 8 4 13.7 11.6 4 2 6 25.4 26.2 1 11 0 12.7 13.0 -5 9 4 25.9 25.1 2 2 6 55.1 55.2 2 12 0 30.3 31.8 -3 9 4 18.2 17.2 0 2 6 20.7 21.2 0 12 0 56.9 56.1 -1 9 4 13.0 11.3 -2 2 6 32.3 33.0 -3 7 1 10.1 10.3 3 9 4 17.5 -18.2 -3 1 6 15.0 14.4 -5 7 1 12.3 10.6 4 12 4 20.8 21.0 1 1 6 32.1 -32.2 5 3 2 15.1 12.7 2 12 4 35.0 37.3 3 1 6 21.9 -22.1 2 10 2 12.6 13.0 0 12 4 25.3 24.6 6 0 6 41.1 42.1 -3 13 3 15.4 -14.4 1 9 5 43.5 -43.0 4 0 6 30.9 30.3 -5 7 3 15.9 -15.9 -1 9 5 73.9 -72.7 2 0 6 14.6 -15.4 -5 5 3 12.7 -12.4 -3 9 5 32.4 -30.8 0 0 6 49.8 48.1 0 4 3 10.2 -11.3 -5 9 5 13.5 -13.3 -2 0 6 105.2 107.3 -7 3 4 35.7 33.8 -1 7 5 22.6 21.9 -4 0 6 101.4 101.4 -5 3 4 32.5 32.3 -6 6 5 21.2 -20.3 -6 0 6 49.1 48.1 -3 3 4 34.4 36.6 -4 6 5 11.3 -11.9 -7 3 6 15.5 14.6 -1 3 4 52.1 54.0 0 6 5 30.4 29.8 4 4 6 16.4 15.6 1 3 4 29.4 -28.4 2 6 5 15.4 -15.3 2 4 6 35.9 34.7 3 3 4 29.9 -29.2 4 6 5 57.1 -56.3 0 4 6 55.4 56.2 5 3 4 24.6 23.9 6 6 5 22.7 -23.9 -3 5 6 17.8 18.1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 1 5 6 28.6 -29.9 -3 1 7 19.8 -20.4 -5 1 9 15.1 -16.5 6 6 6 24.2 25.1 -6 0 7 19.1 18.7 -6 0 9 40.8 -39.4 4 6 6 24.4 26.4 -4 0 7 17.4 -16.3 -2 0 9 11.0 9.1 -2 6 6 84.9 82.7 -2 0 7 123.6 -124.6 0 0 9 26.6 -27.1 -4 6 6 77.1 74.8 0 0 7 62.8 -62.6 4 0 9 14.5 -14.1 -6 6 6 25.4 26.7 -5 3 8 58.8 56.8 6 0 9 30.1 -32.4 3 7 6 20.3 -21.5 -3 3 8 56.5 55.3 1 3 10 14.6 14.1 2 8 6 22.7 22.9 2 2 8 27.1 -28.1 3 3 10 43.7 43.2 0 8 6 27.2 26.2 -2 2 8 25.4 26.0 5 3 10 27.1 27.3 -1 9 6 22.5 22.3 -4 2 8 16.2 15.5 2 2 10 21.0 23.1 1 9 6 54.6 54.4 -5 1 8 21.0 -22.0 0 2 10 14.7 14.1 3 9 6 36.8 38.2 -3 1 8 33.9 -35.1 1 1 10 17.4 -17.3 2 10 6 18.3 19.2 -1 1 8 18.2 -17.7 3 1 10 16.5 -18.0 0 10 6 16.0 14.6 4 0 8 35.5 34.1 0 0 10 48.0 46.5 -2 12 6 27.8 29.0 2 0 8 73.3 71.5 -2 0 10 67.0 65.7 -4 12 6 31.1 31.3 0 0 8 73.0 71.3 -4 0 10 39.0 37.1 -2 12 7 30.4 -30.8 -2 0 8 37.8 38.3 -6 0 10 31.5 32.1 0 12 7 21.4 -22.0 -8 0 8 22.1 23.0 -2 2 10 15.1 -15.6 -2 10 7 14.9 16.5 -6 2 8 16.5 15.9 2 4 10 14.1 11.9 0 10 7 16.0 15.4 0 4 8 13.3 -11.8 -4 4 10 16.8 -14.8 5 9 7 16.4 -17.7 -2 4 8 14.3 15.3 4 6 10 11.8 -10.5 3 9 7 29.3 -30.4 -4 4 8 31.2 30.6 0 6 10 37.2 37.3 1 9 7 23.9 -25.5 -5 5 8 18.7 -18.3 -2 6 10 33.1 33.5 -1 9 7 17.6 16.6 -3 5 8 29.4 -30.7 -4 6 10 34.3 35.3 -5 9 7 29.1 -30.3 4 6 8 28.6 30.2 -6 6 10 22.1 25.0 -2 8 7 17.6 18.0 2 6 8 35.8 36.0 1 7 10 17.1 -17.2 0 8 7 23.3 24.4 0 6 8 62.2 60.8 3 9 10 23.6 24.5 -1 7 7 27.9 -29.7 -2 6 8 30.0 29.3 -3 9 11 16.2 -16.8 -3 7 7 16.9 -15.7 -4 6 8 16.4 -16.5 0 8 11 14.6 15.5 -4 6 7 22.9 -23.2 -3 7 8 16.8 -16.5 -2 6 11 13.8 -13.7 -2 6 7 65.1 -64.8 -1 7 8 17.4 -18.0 0 6 11 39.7 -42.3 0 6 7 55.8 -55.1 -2 8 8 12.5 11.2 2 6 11 22.8 -24.8 1 5 7 26.6 -28.4 -4 8 8 17.5 17.3 -1 5 11 17.7 -18.4 -1 5 7 23.4 -24.7 -5 9 8 31.0 31.9 -2 4 11 17.2 18.3 -3 5 7 13.0 -14.0 -3 9 8 24.9 25.5 0 4 11 25.8 27.4 -4 4 7 18.9 20.1 0 12 8 22.2 23.2 5 3 11 25.0 -26.7 -2 4 7 22.8 22.7 3 9 9 25.8 -26.4 3 3 11 15.8 -13.8 0 4 7 42.5 43.0 1 9 9 27.7 -28.9 1 3 11 15.3 13.8 2 4 7 17.3 18.2 -1 9 9 32.7 -34.2 -3 3 11 40.0 -37.7 4 4 7 14.0 -12.3 -3 9 9 37.7 -39.2 -5 3 11 31.6 -30.5 5 3 7 36.7 -36.4 -6 6 9 21.8 -23.4 -2 2 11 15.1 15.9 3 3 7 63.4 -62.4 0 4 9 24.0 -24.4 2 2 11 27.4 26.1 1 3 7 39.0 -38.1 3 3 9 37.0 -37.8 1 1 11 14.9 -16.1 -1 3 7 15.4 15.2 1 3 9 66.2 -65.1 -1 1 11 18.5 -18.6 -5 3 7 46.2 -45.2 -1 3 9 72.8 -70.6 -2 0 11 14.0 -13.9 -7 3 7 40.8 -40.6 -3 3 9 63.6 -61.9 0 0 11 47.1 -45.1 -2 2 7 58.7 59.5 -5 3 9 27.1 -27.1 2 0 11 48.1 -45.8 0 2 7 34.9 35.9 -6 2 9 18.3 17.7 -7 3 11 18.4 -18.4 1 1 7 28.3 -28.9 -2 2 9 23.5 -23.3 -3 3 12 45.0 42.9 -1 1 7 36.2 -37.8 3 1 9 14.4 -14.5 -1 3 12 47.3 44.8 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -2 2 12 26.9 28.2 -3 9 12 28.6 30.5 0 0 13 24.5 22.8 -4 2 12 17.3 17.1 -1 9 12 25.0 25.4 2 0 14 12.0 12.0 4 0 12 27.6 29.9 -1 9 13 23.7 -25.5 -2 0 14 37.7 37.0 2 0 12 49.2 50.2 -4 6 13 23.4 -26.1 -4 0 14 42.1 42.0 0 0 12 34.4 32.8 1 3 13 36.4 -37.0 -2 6 14 26.9 29.4 -6 0 12 28.6 27.7 -1 3 13 51.5 -50.3 -4 6 14 25.0 26.3 0 4 12 20.5 19.2 -2 2 13 13.5 11.8 -2 6 15 14.4 -15.3 -2 4 12 16.2 15.0 -6 0 13 24.0 -25.6 -1 1 15 12.5 -12.1 2 6 12 39.4 41.1 -4 0 13 26.0 -25.3 0 0 15 19.7 -22.1 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 4. Tag15-3 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -1 1 -1 37.9 -38.1 2 2 0 42.3 41.3 -1 5 2 27.0 -26.9 1 1 -1 12.5 12.2 4 2 0 30.7 30.5 0 4 2 25.6 28.0 3 1 -1 21.6 22.3 6 2 0 14.1 12.3 2 4 2 47.5 47.2 8 0 -1 21.6 -22.2 5 1 0 16.3 -16.7 3 3 2 31.6 30.8 6 0 -1 17.8 -17.3 1 1 0 27.3 27.9 1 3 2 45.1 46.5 4 0 -1 52.9 51.8 2 0 0 120.1 120.7 -1 3 2 95.2 96.9 2 0 -1 39.4 38.7 4 0 0 8.7 7.5 0 2 2 74.4 77.3 0 0 -1 57.6 -58.7 6 0 0 13.7 13.4 4 2 2 9.5 9.9 4 2 -1 13.5 -12.5 3 1 1 37.3 -39.1 3 1 2 34.1 -34.3 2 2 -1 41.2 40.5 5 1 1 17.3 -19.0 1 1 2 80.4 -81.5 0 2 -1 11.8 12.1 6 0 1 14.6 -13.4 -1 1 2 60.1 -62.2 -1 3 -1 25.4 24.5 4 0 1 61.6 -60.1 2 0 2 104.6 103.6 1 3 -1 118.5 -119.6 2 0 1 99.1 -98.0 4 0 2 24.6 23.7 3 3 -1 150.1 -148.4 4 2 1 44.4 46.0 6 0 2 23.8 24.3 5 3 -1 44.0 -44.2 2 2 1 34.6 35.0 8 0 2 22.9 22.0 2 4 -1 23.0 -23.0 3 3 1 18.9 -16.6 -1 1 3 73.3 -75.2 0 4 -1 39.2 40.2 5 3 1 24.1 -25.0 1 1 3 37.6 -37.1 -1 5 -1 36.6 -37.8 4 4 1 18.8 18.3 4 0 3 9.6 8.1 1 5 -1 15.9 17.0 2 4 1 50.4 50.2 2 0 3 48.0 -49.3 3 5 -1 21.7 22.1 3 5 1 24.4 -25.0 0 0 3 110.7 -110.7 6 6 -1 14.1 -14.6 5 5 1 13.4 -12.5 4 2 3 18.5 -18.7 4 6 -1 21.6 19.7 6 6 1 13.9 -15.3 2 2 3 24.7 -24.8 2 6 -1 51.8 50.8 4 6 1 27.2 -27.2 0 2 3 55.4 56.6 0 6 -1 53.5 -53.0 2 6 1 78.6 -76.8 -1 3 3 106.4 -106.8 5 7 -1 10.9 9.5 3 7 1 27.2 -26.7 1 3 3 83.3 -82.2 0 8 -1 12.4 12.2 5 7 1 15.7 -14.3 3 3 3 62.0 -60.6 -1 9 -1 11.2 -11.8 4 8 1 14.4 13.2 5 3 3 56.9 -59.1 1 9 -1 44.0 -42.5 2 8 1 23.5 22.4 7 3 3 22.4 -22.4 3 9 -1 56.5 -58.7 4 10 1 13.3 12.4 0 4 3 10.7 -11.7 5 9 -1 27.8 -27.9 3 11 1 12.4 -12.7 -1 5 3 41.0 -41.8 0 12 0 45.0 47.3 4 12 1 14.1 -12.7 1 5 3 15.7 -15.7 1 11 0 13.0 12.0 2 12 1 27.1 -26.0 2 6 3 38.8 -38.5 5 9 0 26.8 25.8 1 13 2 12.6 -11.7 0 6 3 31.4 -32.7 3 9 0 32.0 31.6 -1 11 2 19.6 -18.6 -1 7 3 39.0 -40.0 1 9 0 18.1 -19.8 0 10 2 17.3 16.7 1 7 3 22.0 -20.9 1 7 0 23.4 24.4 5 9 2 11.7 10.7 -1 9 3 25.0 -23.8 0 6 0 147.7 146.3 3 9 2 12.0 12.4 1 9 3 27.1 -25.6 2 6 0 93.5 91.8 1 9 2 28.2 27.1 3 9 3 37.8 -37.2 4 6 0 11.5 11.1 -1 9 2 57.6 57.0 5 9 3 26.9 -27.9 5 5 0 15.3 -14.5 0 8 2 22.0 21.0 -1 11 3 17.0 -17.1 3 5 0 11.5 9.9 2 8 2 20.1 19.6 2 12 3 11.7 -10.8 1 5 0 13.8 15.0 3 7 2 12.2 -12.4 0 12 3 14.3 -16.1 0 4 0 40.4 40.3 1 7 2 31.0 -31.0 -1 13 3 8.4 -8.4 4 4 0 16.8 16.9 -1 7 2 42.0 -43.3 0 12 4 20.2 20.4 6 4 0 19.2 21.2 0 6 2 17.4 16.9 2 12 4 27.6 28.8 7 3 0 18.9 19.8 2 6 2 22.3 21.8 4 12 4 15.8 15.0 5 3 0 57.0 56.3 4 6 2 25.7 25.6 3 9 4 13.4 -13.8 3 3 0 54.5 52.6 6 6 2 18.5 18.9 0 8 4 11.1 -10.1 1 3 0 39.7 -38.3 3 5 2 27.6 -27.4 0 6 4 64.3 63.1 0 2 0 32.4 -32.6 1 5 2 54.7 -56.2 2 6 4 86.4 85.2 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 4 6 4 34.3 35.7 1 5 6 25.8 -25.7 3 1 9 12.4 -10.7 1 5 4 17.5 18.4 -1 5 6 8.8 -9.7 6 0 9 18.5 -17.5 -1 5 4 13.7 -14.5 0 4 6 50.0 50.8 0 0 9 25.2 -25.4 0 4 4 20.7 -22.3 2 4 6 30.2 29.6 -1 3 9 63.0 -61.1 2 4 4 17.9 -17.3 3 3 6 45.4 46.0 1 3 9 51.2 -50.2 7 3 4 20.6 22.2 1 3 6 114.7 113.2 3 3 9 27.3 -28.0 5 3 4 17.2 17.9 -1 3 6 48.5 49.9 0 4 9 20.4 -20.1 3 3 4 26.6 -26.6 0 2 6 19.5 20.3 -1 9 9 25.2 -27.7 1 3 4 27.4 -26.7 2 2 6 48.2 47.2 1 9 9 19.2 -21.0 -1 3 4 48.6 50.0 4 2 6 18.8 19.2 3 9 9 16.1 -18.0 -1 1 4 18.3 -18.4 3 1 6 18.4 -17.2 1 9 10 11.6 10.0 0 0 4 58.8 58.4 1 1 6 28.6 -28.0 1 7 10 13.7 -12.3 2 0 4 116.6 117.3 0 0 6 42.2 41.6 0 6 10 29.5 30.3 4 0 4 70.7 70.1 2 0 6 15.8 -16.7 5 3 10 17.6 16.5 3 1 5 14.8 -13.8 4 0 6 23.1 24.2 3 3 10 29.7 29.4 5 1 5 13.9 -13.7 6 0 6 27.3 27.9 1 3 10 10.4 9.5 6 0 5 17.3 -18.6 -1 1 7 33.6 -34.6 0 2 10 11.2 11.4 4 0 5 53.6 -53.8 1 1 7 24.6 -24.2 2 2 10 16.9 15.9 2 0 5 45.2 -45.6 0 0 7 57.1 -56.9 3 1 10 11.3 -11.6 0 0 5 88.1 87.0 0 2 7 31.2 32.1 1 1 10 14.1 -13.3 -1 1 5 9.0 9.5 -1 3 7 14.5 15.8 0 0 10 40.7 39.3 4 2 5 19.3 19.3 1 3 7 33.6 -33.1 -1 1 11 15.8 -15.4 2 2 5 39.7 40.9 3 3 7 49.6 -49.6 1 1 11 11.4 -11.6 -1 3 5 122.0 -122.8 5 3 7 22.3 -23.2 2 0 11 34.4 -32.9 1 3 5 99.3 -96.9 2 4 7 13.2 13.8 0 0 11 37.9 -36.4 5 3 5 12.6 13.2 0 4 7 38.0 38.4 2 2 11 17.5 17.3 4 4 5 24.6 24.1 -1 5 7 22.7 -22.1 0 2 11 14.4 14.4 0 4 5 15.9 15.8 1 5 7 21.7 -22.7 1 3 11 11.6 11.5 5 5 5 12.1 -12.9 0 6 7 50.0 -48.0 5 3 11 16.1 -15.4 6 6 5 16.3 -15.3 -1 7 7 25.0 -25.6 0 4 11 18.5 20.5 4 6 5 43.4 -43.5 0 8 7 18.7 20.1 -1 5 11 13.7 -15.0 2 6 5 12.6 -12.5 -1 9 7 14.9 13.3 2 6 11 16.0 -18.2 0 6 5 28.2 27.3 1 9 7 19.5 -21.2 0 6 11 31.3 -32.1 -1 7 5 19.5 20.6 3 9 7 20.4 -22.8 0 8 11 12.9 11.4 3 7 5 11.9 -11.9 -1 11 7 13.8 -12.8 -1 9 12 19.1 19.4 -1 9 5 64.7 -64.2 0 12 7 16.1 -17.2 0 6 12 11.3 10.1 1 9 5 37.4 -36.1 0 12 8 17.4 18.2 2 6 12 25.8 27.9 0 10 6 13.3 12.1 -1 7 8 15.7 -16.0 0 4 12 14.1 14.3 2 10 6 17.2 15.1 0 6 8 52.2 52.7 -1 3 12 37.0 36.8 3 9 6 30.3 28.9 2 6 8 26.9 26.6 -1 1 12 11.5 -10.2 1 9 6 45.0 45.5 4 6 8 18.4 18.4 0 0 12 26.3 24.4 -1 9 6 18.6 19.6 0 4 8 10.8 -10.5 2 0 12 36.1 35.7 0 8 6 23.1 23.4 2 2 8 23.0 -22.0 4 0 12 18.3 17.6 2 8 6 18.0 18.4 -1 1 8 15.0 -15.7 0 0 13 18.9 17.5 3 7 6 16.5 -16.1 0 0 8 65.8 65.1 -1 3 13 39.7 -39.9 1 7 6 12.2 -10.9 2 0 8 49.7 53.9 1 3 13 24.1 -25.4 4 6 6 19.5 19.9 4 0 8 21.9 21.5 -1 9 13 16.9 -18.9 6 6 6 16.3 16.8 6 0 8 12.8 11.1 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 5. Tpg63-2B H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -2 12 -3 13.2 -13.3 -2 0 -3 57.0 -57.0 -5 9 -2 14.6 14.5 0 12 -3 19.8 -19.1 0 0 -3 121.5 -120.6 -3 9 -2 17.1 17.4 2 12 -3 23.8 -23.5 2 0 -3 52.7 -54.5 -1 9 -2 32.4 32.1 4 12 -3 25.8 -26.3 4 0 -3 89.5 -89.5 1 9 -2 63.3 62.0 3 11 -3 12.4 -11.5 6 0 -3 40.5 -40.1 3 9 -2 20.9 21.1 1 11 -3 19.1 -18.2 -5 3 -2 14.4 14.9 0 10 -2 18.3 18.4 -1 11 -3 8.6 -9.3 -3 3 -2 38.6 39.3 -1 11 -2 14.1 -14.0 2 10 -3 12.2 12.4 -1 3 -2 53.1 53.0 1 11 -2 19.0 -18.8 3 9 -3 15.9 -14.8 1 3 -2 105.7 105.2 4 12 -2 19.5 21.3 1 9 -3 27.3 -26.2 3 3 -2 61.5 61.5 -2 12 -2 11.1 10.6 -1 9 -3 30.4 -28.6 5 3 -2 20.7 -20.5 -1 13 -2 12.9 -12.1 -3 9 -3 43.5 -43.5 7 3 -2 13.3 -13.3 -4 12 -1 16.6 -16.5 -5 9 -3 35.3 -36.8 4 2 -2 20.8 -21.3 -2 12 -1 30.4 -30.0 -4 8 -3 10.8 -9.8 2 2 -2 41.2 42.0 0 12 -1 16.8 -17.1 2 8 -3 22.4 22.4 0 2 -2 77.7 79.2 -3 11 -1 14.4 -14.7 4 8 -3 11.5 11.9 -4 2 -2 12.0 12.1 -4 10 -1 13.9 13.8 5 7 -3 14.2 -14.5 -3 1 -2 37.2 -37.6 -2 10 -1 14.4 14.9 3 7 -3 22.9 -23.6 -1 1 -2 83.7 -84.0 5 9 -1 32.4 -32.4 1 7 -3 40.3 -40.6 1 1 -2 63.2 -63.4 3 9 -1 67.8 -66.6 -1 7 -3 22.2 -21.5 3 1 -2 17.8 -17.3 1 9 -1 48.1 -47.6 -2 6 -3 44.3 -44.5 5 1 -2 8.6 9.3 -1 9 -1 13.5 -13.4 0 6 -3 36.4 -38.1 8 0 -2 26.3 25.5 -4 8 -1 14.3 14.8 2 6 -3 68.7 -69.1 6 0 -2 74.0 73.9 -2 8 -1 23.8 23.9 4 6 -3 67.5 -65.9 4 0 -2 103.9 103.7 0 8 -1 12.5 11.8 6 6 -3 19.8 -20.0 2 0 -2 19.7 -18.7 2 8 -1 11.4 -11.6 5 5 -3 12.7 -12.3 -2 0 -2 114.0 114.4 3 7 -1 11.4 11.1 3 5 -3 51.4 -52.2 -4 0 -2 29.0 28.1 -3 7 -1 28.7 -29.0 1 5 -3 43.1 -44.2 -6 0 -2 32.9 33.1 -5 7 -1 16.2 -16.2 -1 5 -3 17.1 -17.4 -8 0 -2 34.7 34.2 -6 6 -1 22.0 -22.0 -4 4 -3 11.3 -11.4 6 4 -2 13.1 -13.1 -4 6 -1 35.0 -34.1 0 4 -3 11.9 -12.7 2 4 -2 12.2 13.1 -2 6 -1 84.9 -85.2 2 4 -3 45.2 46.3 0 4 -2 27.1 28.8 0 6 -1 58.1 -59.2 4 4 -3 22.8 22.5 -2 4 -2 50.0 50.9 2 6 -1 50.6 50.2 7 3 -3 35.6 -35.7 -3 5 -2 28.6 -29.3 4 6 -1 20.6 20.1 5 3 -3 15.5 -14.8 -1 5 -2 56.9 -58.7 6 6 -1 19.2 -19.9 3 3 -3 22.9 -22.6 1 5 -2 27.2 -28.6 3 5 -1 22.4 23.3 1 3 -3 113.7 -113.6 3 5 -2 14.8 -14.8 1 5 -1 15.8 16.7 -1 3 -3 88.1 -89.0 6 6 -2 61.9 60.6 -1 5 -1 37.2 -38.2 -3 3 -3 71.7 -72.1 4 6 -2 51.5 50.4 -3 5 -1 26.9 -27.7 -5 3 -3 75.5 -75.6 2 6 -2 11.8 11.7 -5 5 -1 16.2 -15.7 -7 3 -3 32.4 -32.1 0 6 -2 21.1 21.6 -6 4 -1 13.4 13.3 -4 2 -3 21.5 -21.9 -2 6 -2 26.0 25.2 -4 4 -1 19.6 19.4 -2 2 -3 25.7 -26.8 -4 6 -2 31.3 30.3 -2 4 -1 50.7 51.8 0 2 -3 57.5 59.0 -6 6 -2 25.6 25.9 0 4 -1 39.3 41.4 2 2 -3 15.0 15.7 -3 7 -2 14.4 -14.4 2 4 -1 23.5 -25.4 4 2 -3 16.5 16.9 -1 7 -2 31.6 -32.1 5 3 -1 51.6 -51.8 5 1 -3 19.4 -18.8 1 7 -2 42.5 -43.1 3 3 -1 156.6 -157.3 3 1 -3 63.5 -63.4 2 8 -2 11.6 11.3 1 3 -1 125.6 -125.9 1 1 -3 77.4 -77.4 0 8 -2 23.1 22.6 -1 3 -1 19.6 18.3 -1 1 -3 39.1 -40.3 -2 8 -2 22.3 22.7 -3 3 -1 22.7 -22.8 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -5 3 -1 29.5 -29.2 3 9 0 36.3 35.8 0 6 4 69.9 70.3 -7 3 -1 14.5 -15.2 1 9 0 19.2 -19.1 -2 6 4 27.0 27.2 -4 2 -1 50.6 50.7 1 11 0 13.4 13.2 -4 6 4 28.0 27.9 -2 2 -1 35.7 35.9 2 12 0 30.2 30.0 -5 7 4 25.0 -23.9 0 2 -1 9.8 11.2 0 12 0 51.9 52.8 -3 7 4 14.1 -14.0 2 2 -1 41.5 41.9 -2 12 1 11.5 11.6 2 8 4 9.8 -10.0 4 2 -1 14.4 -15.3 8 0 1 12.5 -11.7 0 8 4 11.3 -10.9 8 2 -1 12.2 12.3 6 4 2 9.8 -9.9 -6 8 4 10.7 10.2 3 1 -1 23.2 24.6 -5 7 2 10.0 9.4 -5 9 4 25.6 25.4 1 1 -1 13.0 12.8 -5 9 2 14.3 -12.4 -3 9 4 18.9 18.5 -1 1 -1 39.1 -39.1 -1 13 3 9.1 -9.1 -1 9 4 13.7 13.5 -3 1 -1 40.5 -41.9 -3 13 3 14.1 -12.4 3 9 4 13.8 -15.1 -5 1 -1 21.9 -22.3 3 7 3 9.4 9.8 -5 11 4 13.7 -11.8 -6 0 -1 20.1 -20.5 6 6 3 11.5 10.9 4 12 4 19.8 19.9 -4 0 -1 72.6 -72.0 -7 3 4 34.5 35.7 2 12 4 33.5 34.2 -2 0 -1 107.1 -106.8 -5 3 4 35.0 35.3 0 12 4 23.8 23.0 0 0 -1 65.7 -67.5 -3 3 4 39.3 39.8 -2 12 4 14.2 12.8 2 0 -1 36.2 34.6 -1 3 4 56.1 56.8 -1 11 5 12.1 11.0 4 0 -1 52.5 52.4 1 3 4 23.2 -23.4 1 9 5 42.1 -41.8 6 0 -1 24.1 -23.7 3 3 4 27.3 -26.0 -1 9 5 71.0 -69.3 8 0 -1 33.0 -31.4 5 3 4 26.1 24.9 -3 9 5 29.8 -30.2 7 3 0 28.1 27.6 7 3 4 33.5 34.0 -5 9 5 14.6 -13.9 5 3 0 67.7 68.0 6 2 4 15.0 14.6 4 8 5 16.6 17.2 3 3 0 61.4 61.6 4 2 4 10.1 -9.1 3 7 5 14.9 -14.2 1 3 0 35.3 -33.5 -2 2 4 20.8 -22.5 -1 7 5 20.1 20.8 8 2 0 12.2 11.8 -4 2 4 33.2 34.6 -6 6 5 21.7 -22.2 6 2 0 14.4 14.7 -6 2 4 18.6 19.0 -4 6 5 14.9 -14.5 4 2 0 32.5 32.8 -7 1 4 13.6 -14.3 0 6 5 25.2 25.6 2 2 0 44.0 44.3 -5 1 4 28.8 -29.8 2 6 5 17.0 -16.4 0 2 0 33.7 -32.5 -3 1 4 33.7 -34.5 4 6 5 54.4 -55.3 5 1 0 18.6 -18.4 -1 1 4 19.1 -18.7 6 6 5 22.8 -23.5 1 1 0 29.1 29.4 5 1 4 9.2 -9.3 5 5 5 16.6 -17.2 7 1 0 13.7 -13.1 4 0 4 87.5 86.1 3 5 5 11.5 -10.1 6 0 0 17.0 16.7 2 0 4 134.7 132.0 -3 5 5 13.9 14.1 4 0 0 13.3 12.3 0 0 4 66.8 64.8 -7 5 5 12.3 -12.3 2 0 0 128.6 127.7 -2 0 4 88.2 90.3 -6 4 5 14.3 13.3 6 4 0 25.0 24.9 -4 0 4 26.5 26.5 0 4 5 15.2 15.6 4 4 0 18.6 18.8 4 4 4 11.8 11.2 4 4 5 30.3 29.6 0 4 0 42.1 43.1 2 4 4 19.5 -19.1 6 4 5 14.6 15.2 5 5 0 16.7 -16.4 0 4 4 21.6 -22.6 7 3 5 12.1 -12.4 3 5 0 10.3 10.8 -2 4 4 25.5 25.4 5 3 5 15.6 15.1 1 5 0 16.0 16.9 -4 4 4 13.5 13.0 1 3 5 106.6 -107.2 4 6 0 15.0 14.1 -6 4 4 14.5 14.6 -1 3 5 128.6 -130.0 2 6 0 99.0 99.0 -7 5 4 11.7 -12.7 -3 3 5 71.5 -72.4 0 6 0 151.4 152.4 -5 5 4 17.8 -18.7 -5 3 5 32.0 -31.5 3 7 0 9.3 -8.0 -3 5 4 27.2 -26.3 -7 3 5 11.9 -13.0 1 7 0 23.9 24.8 -1 5 4 13.1 -13.3 -4 2 5 13.7 13.9 4 8 0 13.2 12.8 1 5 4 19.3 19.7 -2 2 5 12.7 -14.0 6 8 0 14.8 14.3 4 6 4 44.1 44.4 0 2 5 9.4 -9.7 5 9 0 32.7 32.5 2 6 4 99.5 97.6 2 2 5 45.2 45.1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 4 2 5 23.2 22.4 3 7 6 17.9 -19.3 -5 3 8 58.8 57.8 6 2 5 13.3 13.9 2 8 6 19.9 21.1 -3 3 8 58.5 57.6 5 1 5 17.9 -17.8 0 8 6 23.8 25.0 2 2 8 27.6 -26.8 3 1 5 16.9 -16.4 -1 9 6 23.5 22.4 -2 2 8 25.8 25.3 -1 1 5 10.6 10.3 1 9 6 52.3 52.3 -4 2 8 14.2 15.1 -3 1 5 10.8 12.1 3 9 6 35.0 36.3 -6 2 8 15.3 15.3 -7 1 5 11.8 -12.9 2 10 6 17.2 17.1 -5 1 8 19.9 -20.0 -8 0 5 20.7 -20.0 0 10 6 13.3 12.5 -3 1 8 32.5 -32.9 -6 0 5 19.2 -19.6 -2 12 6 27.3 27.1 -1 1 8 16.7 -16.0 -4 0 5 45.9 -47.2 -4 12 6 29.4 28.7 6 0 8 17.0 17.9 -2 0 5 23.7 24.0 -2 12 7 26.7 -28.7 4 0 8 32.8 32.2 0 0 5 87.2 84.9 0 12 7 21.2 -20.9 2 0 8 71.5 68.8 2 0 5 57.1 -55.6 -1 11 7 13.6 -14.1 0 0 8 71.8 70.2 4 0 5 67.8 -66.3 -2 10 7 14.5 14.8 -2 0 8 37.5 37.5 6 0 5 29.1 -28.2 0 10 7 14.5 13.4 -8 0 8 22.6 24.2 -7 3 6 16.5 16.4 5 9 7 16.7 -16.4 -7 3 8 13.0 12.9 -3 3 6 25.3 -26.2 3 9 7 26.5 -28.3 0 4 8 11.1 -11.2 -1 3 6 53.7 55.1 1 9 7 22.7 -24.0 -2 4 8 14.8 14.8 1 3 6 123.2 122.5 -1 9 7 15.7 13.8 -4 4 8 30.6 29.7 3 3 6 58.3 56.6 -5 9 7 30.0 -29.5 -5 5 8 16.0 -16.6 4 2 6 24.7 24.2 -2 8 7 17.2 16.1 -3 5 8 27.4 -27.9 2 2 6 53.7 53.2 0 8 7 22.4 21.9 4 6 8 25.7 28.2 0 2 6 19.9 20.0 -1 7 7 26.7 -27.2 2 6 8 33.6 34.0 -2 2 6 30.6 31.5 -3 7 7 12.9 -13.6 0 6 8 58.3 58.1 -5 1 6 12.4 12.6 -4 6 7 23.5 -24.1 -2 6 8 30.1 28.5 -3 1 6 14.7 15.7 -2 6 7 64.5 -63.9 -4 6 8 16.1 -14.8 1 1 6 30.4 -30.4 0 6 7 57.0 -55.6 -5 7 8 10.3 -11.1 3 1 6 21.9 -21.3 1 5 7 25.1 -26.5 -3 7 8 14.6 -15.0 6 0 6 40.5 40.0 -1 5 7 25.0 -24.1 -1 7 8 14.4 -15.9 4 0 6 31.2 30.0 -3 5 7 12.4 -13.2 -2 8 8 10.0 10.0 2 0 6 14.2 -14.8 -4 4 7 17.9 18.1 -4 8 8 17.1 16.5 0 0 6 52.0 50.0 -2 4 7 20.8 20.6 -5 9 8 31.2 31.2 -2 0 6 107.3 108.5 0 4 7 41.5 40.9 -3 9 8 25.8 25.9 -4 0 6 100.5 102.2 2 4 7 15.7 16.3 2 12 8 15.0 15.2 -6 0 6 48.1 48.4 4 4 7 12.4 -12.0 0 12 8 20.0 20.7 -6 2 6 10.1 -9.6 5 3 7 33.5 -34.3 3 9 9 21.4 -23.9 4 4 6 15.3 14.5 3 3 7 60.5 -60.3 1 9 9 24.8 -26.5 2 4 6 33.0 32.3 1 3 7 39.3 -37.7 -1 9 9 31.6 -31.5 0 4 6 53.3 53.5 -1 3 7 13.6 13.9 -3 9 9 37.1 -36.4 -3 5 6 18.1 18.7 -5 3 7 45.6 -46.0 0 8 9 13.4 -12.4 -1 5 6 7.9 -8.6 -7 3 7 39.1 -40.5 -5 7 9 13.8 -13.0 1 5 6 27.2 -27.6 -2 2 7 56.6 57.2 -6 6 9 24.3 -24.2 3 5 6 10.7 -12.1 0 2 7 33.9 33.6 3 5 9 12.8 -12.4 6 6 6 21.1 23.6 1 1 7 28.3 -27.8 -7 5 9 10.6 -10.4 4 6 6 24.8 25.2 -1 1 7 35.4 -36.6 0 4 9 22.0 -23.5 -2 6 6 83.6 82.2 -3 1 7 18.3 -18.7 3 3 9 36.3 -35.9 -4 6 6 75.4 73.5 -6 0 7 15.8 16.5 1 3 9 62.1 -61.2 -6 6 6 26.3 26.3 -4 0 7 17.9 -17.7 -1 3 9 69.7 -67.9 -5 7 6 12.9 12.2 -2 0 7 125.0 -125.1 -3 3 9 61.4 -60.1 1 7 6 12.7 -12.7 0 0 7 65.0 -65.1 -5 3 9 26.2 -26.3 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -6 2 9 16.3 16.6 -3 9 11 16.3 -16.1 -6 0 12 26.3 26.9 -2 2 9 23.4 -23.4 0 8 11 14.0 13.0 3 3 12 12.0 -11.4 3 1 9 12.0 -12.5 -2 6 11 13.3 -14.0 0 4 12 16.3 16.9 -5 1 9 15.4 -15.8 0 6 11 38.3 -39.3 -2 4 12 12.5 12.7 -6 0 9 40.2 -41.1 2 6 11 21.7 -23.6 -4 4 12 11.5 11.7 -4 0 9 8.6 -8.5 -1 5 11 16.5 -16.1 2 6 12 34.2 35.5 0 0 9 29.2 -28.0 -2 4 11 13.7 15.1 -3 7 12 12.8 -10.4 4 0 9 13.8 -14.0 0 4 11 22.0 23.4 0 8 12 9.8 9.3 6 0 9 28.8 -29.9 5 3 11 22.1 -23.6 -2 8 12 10.2 9.8 -7 1 9 13.0 -13.1 -3 3 11 37.6 -36.3 -3 9 12 27.2 27.3 1 3 10 15.0 14.7 -5 3 11 30.1 -29.4 -1 9 12 22.6 23.2 3 3 10 39.7 40.6 -7 3 11 17.5 -18.1 -1 9 13 20.8 -21.7 5 3 10 25.7 25.5 0 2 11 15.5 15.6 -4 6 13 25.0 -25.2 2 2 10 19.8 20.3 2 2 11 22.2 22.6 3 3 13 11.9 -12.3 0 2 10 12.9 12.7 1 1 11 13.7 -14.1 1 3 13 31.0 -32.7 -2 2 10 15.8 -15.4 -1 1 11 16.4 -16.3 -1 3 13 43.9 -44.2 1 1 10 14.9 -14.8 -2 0 11 15.4 -14.7 -3 3 13 11.9 -12.2 3 1 10 16.0 -15.5 0 0 11 45.5 -43.3 -6 0 13 25.4 -24.6 0 0 10 45.3 44.5 2 0 11 42.9 -43.5 -4 0 13 25.3 -25.2 -2 0 10 64.5 62.9 1 3 11 12.6 11.4 0 0 13 19.9 18.1 -4 0 10 37.0 35.9 -5 3 12 15.5 15.3 4 0 13 13.8 -14.9 -6 0 10 31.7 31.5 -3 3 12 40.7 40.6 -2 2 13 9.8 10.0 4 4 10 12.0 14.2 -1 3 12 43.4 42.7 1 3 14 12.8 12.0 -4 4 10 13.8 -14.6 -2 2 12 25.5 25.0 -2 0 14 30.9 33.0 3 5 10 11.7 -13.0 -4 2 12 14.7 14.9 -4 0 14 36.4 37.7 0 6 10 36.1 35.3 -3 1 12 10.2 -10.6 -3 3 14 11.4 -10.9 -2 6 10 31.2 31.3 -1 1 12 10.5 -11.1 -2 6 14 25.3 25.8 -4 6 10 35.1 33.7 4 0 12 26.5 26.3 -4 6 14 21.4 22.9 -6 6 10 24.4 23.9 2 0 12 42.8 43.8 -2 6 15 13.8 -14.1 1 7 10 14.0 -14.2 0 0 12 30.1 29.1 -2 0 15 11.4 -11.8 3 9 10 20.8 21.9 -2 0 12 13.0 -12.1 0 0 15 18.6 -19.5 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 6. Tae23-1a H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -4 12 -1 13.2 -13.6 -3 1 -1 38.8 -40.7 4 0 2 22.4 22.2 -2 12 -1 28.9 -28.4 -5 1 -1 20.3 -20.5 2 0 2 22.4 22.2 0 12 -1 14.8 -14.5 -6 0 -1 13.0 -13.7 0 0 2 105.1 103.6 2 12 -1 16.6 17.3 -4 0 -1 60.1 -60.4 -2 0 2 37.3 -38.4 -3 11 -1 14.3 -14.1 -2 0 -1 90.1 -91.4 -4 0 2 89.7 91.2 -4 10 -1 14.7 13.9 0 0 -1 55.4 -53.7 -6 0 2 69.0 67.5 -2 10 -1 16.1 15.8 2 0 -1 49.2 49.0 -8 0 2 20.6 20.8 5 9 -1 29.3 -29.4 4 0 -1 59.2 60.0 4 2 2 10.0 10.1 3 9 -1 62.6 -62.7 6 0 -1 18.2 -17.4 0 2 2 82.3 81.5 1 9 -1 43.2 -41.2 8 0 -1 27.0 -28.2 -2 2 2 38.5 40.3 -4 8 -1 17.3 17.1 7 1 0 12.7 -12.6 -4 2 2 21.2 -22.7 -2 8 -1 27.3 26.2 5 1 0 17.1 -18.1 -7 3 2 20.1 -19.4 0 8 -1 14.1 13.4 1 1 0 29.9 29.0 -5 3 2 30.1 -28.2 2 8 -1 9.9 -9.6 6 0 0 11.2 10.7 -3 3 2 49.4 51.2 5 7 -1 10.9 10.7 2 0 0 110.5 112.0 -1 3 2 90.7 91.1 3 7 -1 10.5 10.2 8 2 0 11.9 11.5 1 3 2 37.3 39.2 -3 7 -1 29.2 -29.7 6 2 0 14.7 15.2 3 3 2 27.4 28.6 -5 7 -1 15.7 -16.1 4 2 0 32.7 33.6 6 4 2 10.1 -9.9 -6 6 -1 16.0 -16.2 2 2 0 40.8 41.3 2 4 2 48.7 50.5 -4 6 -1 27.0 -26.9 0 2 0 36.7 -37.9 0 4 2 29.2 29.5 -2 6 -1 76.6 -76.6 7 3 0 23.4 23.6 -2 4 2 12.2 12.5 0 6 -1 49.9 -50.0 5 3 0 63.5 62.0 -6 4 2 14.9 -13.4 2 6 -1 59.4 58.5 3 3 0 49.2 51.2 -3 5 2 17.3 -17.4 4 6 -1 27.3 27.6 1 3 0 49.9 -50.2 -1 5 2 28.2 -29.4 6 6 -1 16.1 -16.0 6 4 0 27.5 26.2 1 5 2 59.6 -60.8 3 5 -1 24.3 24.7 4 4 0 19.0 19.6 3 5 2 28.9 -30.4 1 5 -1 18.7 19.0 0 4 0 42.7 42.9 6 6 2 21.6 22.4 -1 5 -1 36.6 -37.0 7 5 0 11.6 -11.6 4 6 2 23.8 24.9 -3 5 -1 24.9 -25.7 5 5 0 17.9 -16.7 2 6 2 17.9 18.7 -5 5 -1 14.2 -13.7 3 5 0 11.4 11.2 0 6 2 11.2 11.5 -6 4 -1 11.9 12.0 1 5 0 13.4 14.0 -4 6 2 44.0 42.8 -4 4 -1 19.4 19.5 2 6 0 89.5 89.2 -6 6 2 57.7 56.2 -2 4 -1 52.5 53.2 0 6 0 144.0 141.9 -5 7 2 9.7 9.7 0 4 -1 40.5 40.4 1 7 0 27.1 27.2 -1 7 2 43.7 -44.4 2 4 -1 24.7 -25.9 4 8 0 12.5 12.1 1 7 2 31.6 -31.0 5 3 -1 44.7 -44.3 6 8 0 14.1 14.3 3 7 2 11.9 -11.9 3 3 -1 145.6 -145.2 5 9 0 29.4 30.3 2 8 2 20.3 21.1 1 3 -1 110.9 -111.7 3 9 0 33.2 32.8 0 8 2 22.9 21.6 -1 3 -1 38.0 37.7 1 9 0 26.7 -26.3 -5 9 2 18.5 -18.2 -3 3 -1 10.6 -11.5 4 10 0 10.5 10.0 -3 9 2 17.3 16.3 -5 3 -1 21.7 -22.9 1 11 0 13.3 13.0 -1 9 2 60.2 58.5 -4 2 -1 50.8 51.6 2 12 0 28.9 28.1 1 9 2 26.8 26.1 -2 2 -1 35.0 36.9 0 12 0 50.4 51.5 3 9 2 11.1 11.3 0 2 -1 10.1 9.3 7 3 1 11.6 -10.8 2 10 2 10.6 11.5 2 2 -1 41.5 42.1 -3 1 2 18.1 -19.2 0 10 2 20.3 18.9 4 2 -1 13.8 -14.6 -1 1 2 62.8 -63.6 -1 11 2 22.1 -21.9 8 2 -1 13.2 12.7 1 1 2 83.3 -84.4 1 11 2 16.1 -16.4 3 1 -1 23.0 23.4 3 1 2 35.3 -35.5 -4 12 2 18.4 18.3 1 1 -1 13.1 13.1 8 0 2 29.9 30.7 1 13 2 12.0 -12.7 -1 1 -1 38.6 -39.3 6 0 2 28.2 27.3 -3 13 3 13.8 -13.9 1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -4 12 3 26.5 -25.6 0 0 3 104.5 -103.2 -3 9 4 13.4 13.2 -2 12 3 22.5 -21.6 2 0 3 43.9 -45.1 3 9 4 19.3 -20.4 0 12 3 16.7 -15.5 4 0 3 15.7 15.9 -4 10 4 11.2 10.9 -1 11 3 18.8 -18.5 -7 1 4 13.5 -14.2 -5 11 4 15.6 -14.2 -3 11 3 12.4 -11.2 -5 1 4 28.8 -29.3 4 12 4 16.9 17.5 -2 10 3 11.6 12.1 -3 1 4 33.0 -33.8 2 12 4 31.5 33.3 5 9 3 35.6 -35.0 -1 1 4 18.3 -17.3 0 12 4 20.4 21.0 3 9 3 39.9 -41.3 1 1 4 7.6 6.7 -2 12 4 10.4 9.6 1 9 3 24.8 -24.3 5 1 4 10.7 -10.6 0 12 5 12.9 13.9 -1 9 3 22.2 -21.6 4 0 4 77.8 76.9 -1 11 5 14.4 13.6 -3 9 3 11.3 -10.3 2 0 4 117.1 118.3 3 9 5 10.6 10.6 -4 8 3 14.7 13.4 0 0 4 55.9 54.0 1 9 5 37.1 -37.1 -2 8 3 25.5 24.1 -2 0 4 80.8 81.1 -1 9 5 68.4 -67.6 1 7 3 23.2 -23.2 -4 0 4 19.3 19.6 -3 9 5 27.0 -26.5 -1 7 3 41.7 -42.0 6 2 4 13.4 14.3 4 8 5 18.6 19.2 -3 7 3 23.4 -23.5 4 2 4 9.6 -9.6 3 7 5 16.0 -16.9 -5 7 3 17.4 -15.7 -2 2 4 23.2 -24.5 -1 7 5 23.7 22.3 -4 6 3 61.8 -61.2 -4 2 4 32.3 34.3 -6 6 5 17.8 -17.0 -2 6 3 60.4 -60.1 -6 2 4 21.8 19.8 -2 6 5 16.7 16.9 0 6 3 27.4 -28.3 -7 3 4 33.2 32.3 0 6 5 34.1 33.8 2 6 3 34.6 -36.2 -5 3 4 28.6 28.4 2 6 5 11.6 -12.3 6 6 3 13.7 14.5 -3 3 4 27.4 29.6 4 6 5 50.9 -52.7 1 5 3 14.2 -14.2 -1 3 4 43.8 45.0 6 6 5 18.1 -20.5 -1 5 3 41.6 -42.6 1 3 4 38.4 -37.2 5 5 5 16.9 -18.1 -3 5 3 52.2 -52.8 3 3 4 33.1 -34.3 3 5 5 9.6 -9.9 -5 5 3 12.2 -11.8 5 3 4 19.9 20.9 -3 5 5 17.6 17.8 -4 4 3 22.4 22.1 7 3 4 30.4 31.3 -7 5 5 11.8 -12.2 -2 4 3 44.2 44.7 4 4 4 11.6 11.6 -6 4 5 13.0 13.9 0 4 3 14.6 -14.4 2 4 4 19.2 -19.2 -4 4 5 12.0 -11.3 4 4 3 11.2 -11.4 0 4 4 23.0 -22.1 0 4 5 17.8 17.5 7 3 3 27.7 -28.5 -2 4 4 26.1 26.3 4 4 5 31.2 30.5 5 3 3 68.3 -70.1 -4 4 4 14.7 14.0 6 4 5 15.2 15.9 3 3 3 61.8 -63.9 -6 4 4 14.4 14.5 5 3 5 20.5 20.9 1 3 3 79.4 -79.6 -5 5 4 19.1 -19.4 1 3 5 98.8 -96.4 -1 3 3 100.6 -102.3 -3 5 4 27.8 -27.5 -1 3 5 119.6 -119.0 -3 3 3 11.2 -12.1 -1 5 4 15.1 -14.9 -3 3 5 64.5 -65.2 -7 3 3 32.0 -31.3 1 5 4 19.3 18.8 -5 3 5 26.9 -25.7 -4 2 3 15.3 16.4 5 5 4 10.9 -10.5 -4 2 5 15.4 15.2 -2 2 3 17.0 17.7 4 6 4 38.5 38.3 -2 2 5 11.7 -12.5 0 2 3 62.5 61.2 2 6 4 89.1 91.1 2 2 5 48.4 48.2 2 2 3 25.1 -26.4 0 6 4 64.1 63.1 4 2 5 25.3 25.0 4 2 3 22.1 -22.8 -2 6 4 22.2 21.1 6 2 5 13.0 13.9 1 1 3 38.8 -37.8 -4 6 4 24.7 22.3 5 1 5 19.6 -19.3 -1 1 3 75.9 -77.1 -5 7 4 25.5 -24.2 3 1 5 18.3 -18.2 -3 1 3 61.1 -63.1 -3 7 4 14.4 -13.2 -1 1 5 9.9 9.7 -5 1 3 19.0 -19.3 2 8 4 10.9 -11.6 -3 1 5 13.1 14.3 -8 0 3 14.5 14.7 0 8 4 14.2 -13.6 -7 1 5 12.7 -12.8 -6 0 3 36.0 -35.3 -4 8 4 10.5 9.9 -8 0 5 14.4 -15.7 -4 0 3 79.7 -79.6 -6 8 4 11.0 10.3 -6 0 5 13.7 -13.0 -2 0 3 37.6 -39.1 -5 9 4 24.9 22.7 -4 0 5 36.4 -37.2 1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -2 0 5 37.2 38.7 2 10 6 18.6 19.6 -1 1 8 17.1 -16.2 0 0 5 98.6 98.7 0 10 6 15.7 15.7 6 0 8 12.8 13.7 2 0 5 49.0 -49.6 -2 12 6 25.7 26.1 4 0 8 29.7 29.0 4 0 5 64.2 -62.5 -4 12 6 28.1 28.9 2 0 8 69.1 67.9 6 0 5 24.6 -23.0 -2 12 7 28.5 -29.2 0 0 8 69.5 69.4 -5 1 6 14.2 13.6 0 12 7 18.4 -19.3 -2 0 8 35.4 35.1 -3 1 6 15.0 15.1 -1 11 7 15.4 -15.0 -6 0 8 11.7 -12.3 -1 1 6 10.1 -10.3 -2 10 7 14.5 16.2 -8 0 8 20.6 20.5 1 1 6 33.2 -33.0 0 10 7 13.3 14.1 2 2 8 30.2 -28.6 3 1 6 22.1 -20.8 5 9 7 13.0 -14.7 -2 2 8 24.4 24.8 6 0 6 40.8 39.8 3 9 7 27.1 -28.5 -4 2 8 13.8 14.8 4 0 6 28.9 27.6 1 9 7 24.7 -23.6 -6 2 8 16.1 16.3 2 0 6 21.7 -21.0 -1 9 7 22.0 20.8 -5 3 8 57.1 56.8 0 0 6 39.7 38.8 -3 9 7 10.0 8.8 -3 3 8 52.1 51.7 -2 0 6 95.5 97.9 -5 9 7 27.1 -27.7 -1 3 8 18.4 -18.4 -4 0 6 94.9 96.5 -2 8 7 19.9 19.5 1 3 8 17.5 -16.8 -6 0 6 47.7 45.6 0 8 7 24.5 25.1 0 4 8 14.1 -13.8 4 2 6 26.0 25.7 -1 7 7 31.0 -30.8 -2 4 8 15.6 14.2 2 2 6 57.1 55.3 -3 7 7 16.7 -16.7 -4 4 8 33.9 31.7 0 2 6 22.5 21.9 -6 6 7 17.0 15.5 -5 5 8 21.5 -20.0 -2 2 6 32.8 34.3 -4 6 7 22.2 -21.9 -3 5 8 31.3 -32.4 -6 2 6 11.9 -11.2 -2 6 7 63.2 -62.4 4 6 8 25.5 25.2 -7 3 6 11.3 12.0 0 6 7 51.7 -49.8 2 6 8 31.5 32.7 -3 3 6 34.1 -35.1 4 6 7 11.6 11.3 0 6 8 60.0 59.6 -1 3 6 50.3 50.2 1 5 7 27.9 -26.7 -2 6 8 27.5 27.0 1 3 6 120.2 118.9 -1 5 7 24.8 -24.0 -4 6 8 22.2 -22.2 3 3 6 51.6 50.2 -3 5 7 13.2 -14.2 -5 7 8 12.4 -12.9 4 4 6 16.4 14.9 -4 4 7 19.7 20.3 -3 7 8 16.1 -15.4 2 4 6 37.0 36.4 -2 4 7 22.6 22.6 -1 7 8 15.2 -16.7 0 4 6 60.2 58.4 0 4 7 44.0 42.2 -2 8 8 9.6 9.1 -5 5 6 8.6 8.2 2 4 7 16.2 16.2 -4 8 8 15.2 16.9 -3 5 6 18.5 18.1 4 4 7 13.7 -13.3 -5 9 8 29.7 31.3 -1 5 6 12.7 -11.6 5 3 7 32.8 -32.6 -3 9 8 22.3 22.5 1 5 6 32.6 -31.4 3 3 7 61.5 -59.8 1 9 8 10.4 -11.3 3 5 6 12.0 -12.3 1 3 7 36.0 -34.7 0 12 8 21.5 21.9 6 6 6 22.6 23.5 -1 3 7 21.5 21.5 3 9 9 21.8 -23.2 4 6 6 25.0 24.4 -5 3 7 41.8 -40.5 1 9 9 24.9 -25.1 -2 6 6 77.5 76.5 -7 3 7 40.3 -39.0 -1 9 9 30.7 -32.5 -4 6 6 74.0 71.3 -2 2 7 62.8 62.1 -3 9 9 37.8 -39.4 -6 6 6 24.8 23.9 0 2 7 37.3 36.8 0 8 9 12.3 -12.6 -5 7 6 13.9 14.4 1 1 7 29.1 -27.7 -5 7 9 15.0 -14.4 1 7 6 12.4 -12.6 -1 1 7 39.2 -38.8 -6 6 9 21.2 -22.1 3 7 6 19.9 -19.7 -3 1 7 21.5 -21.8 4 6 9 14.9 -14.2 4 8 6 11.7 10.8 -6 0 7 22.1 22.8 5 5 9 10.3 -9.9 2 8 6 22.7 22.4 -4 0 7 13.1 -13.9 3 5 9 14.6 -15.7 0 8 6 26.8 25.9 -2 0 7 120.4 -121.9 0 4 9 25.6 -24.7 -3 9 6 8.8 -8.0 0 0 7 55.4 -55.1 3 3 9 33.7 -32.7 -1 9 6 20.5 20.7 2 0 7 17.8 18.4 1 3 9 62.3 -60.7 1 9 6 52.5 51.7 -5 1 8 23.8 -23.2 -1 3 9 70.8 -69.1 3 9 6 34.0 34.9 -3 1 8 35.2 -35.9 -3 3 9 64.1 -62.0 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -5 3 9 26.7 -25.7 0 8 11 15.4 17.0 3 5 12 10.9 10.9 -6 2 9 18.4 18.7 -2 6 11 11.8 -13.3 2 6 12 41.3 41.9 -2 2 9 26.6 -26.0 0 6 11 39.5 -40.7 0 6 12 12.7 13.3 3 1 9 16.9 -16.5 2 6 11 19.0 -21.0 -3 7 12 13.5 -13.9 -5 1 9 15.8 -16.4 1 5 11 12.1 -12.3 0 8 12 10.9 10.6 -7 1 9 13.8 -14.4 -1 5 11 19.1 -19.6 -4 8 12 10.3 9.9 -6 0 9 40.3 -39.2 -2 4 11 20.5 19.8 -3 9 12 30.1 31.1 -2 0 9 17.0 17.6 0 4 11 27.9 29.2 -1 9 12 22.6 23.7 0 0 9 21.9 -23.6 2 4 11 10.8 10.2 -1 9 13 24.9 -25.8 4 0 9 13.8 -12.6 5 3 11 25.2 -25.9 -4 6 13 24.4 -25.4 6 0 9 29.5 -30.1 3 3 11 13.9 -13.4 0 6 13 17.2 18.7 -1 1 10 12.1 -11.2 1 3 11 17.6 16.5 -4 4 13 14.8 15.6 1 1 10 19.2 -18.9 -3 3 11 34.8 -33.6 1 3 13 35.9 -36.5 3 1 10 19.2 -18.7 -5 3 11 28.1 -28.2 -1 3 13 52.1 -53.3 0 0 10 42.0 40.6 -7 3 11 16.6 -17.5 -3 3 13 14.2 -14.2 -2 0 10 63.3 63.0 -6 2 11 11.1 -9.4 -5 3 13 13.7 14.5 -4 0 10 35.5 35.8 -4 2 11 14.5 13.8 -6 2 13 10.5 10.4 -6 0 10 32.1 32.2 -2 2 11 18.8 18.5 -2 2 13 12.3 12.0 2 2 10 24.7 24.3 0 2 11 21.0 19.8 -5 1 13 12.3 -11.8 0 2 10 16.4 15.7 2 2 11 26.5 27.0 -6 0 13 25.2 -26.8 -2 2 10 15.4 -15.9 1 1 11 17.4 -17.0 -4 0 13 23.2 -23.0 -5 3 10 13.1 -12.6 -1 1 11 20.8 -20.4 0 0 13 30.0 28.7 1 3 10 13.4 12.4 -2 0 11 13.0 -13.2 4 0 13 16.8 -16.4 3 3 10 41.7 40.1 0 0 11 43.7 -42.0 3 1 14 12.2 -13.4 5 3 10 23.7 23.8 2 0 11 42.5 -41.1 -2 0 14 37.6 38.1 4 4 10 16.6 16.6 -3 1 12 13.8 -14.1 -4 0 14 44.4 46.0 2 4 10 12.0 12.4 -1 1 12 12.8 -13.1 1 1 14 10.8 -11.0 -4 4 10 16.4 -16.0 4 0 12 28.4 28.7 -4 2 14 11.5 -10.6 -5 5 10 9.9 9.0 2 0 12 52.2 52.1 -3 3 14 19.3 -20.0 -1 5 10 12.7 -12.3 0 0 12 36.9 34.9 1 3 14 12.4 12.5 1 5 10 10.6 -10.8 -2 0 12 19.6 -17.7 -2 6 14 29.1 29.8 3 5 10 14.5 -16.0 -6 0 12 25.6 26.1 -4 6 14 26.5 27.6 4 6 10 12.6 -12.5 -2 2 12 29.8 30.6 -2 6 15 16.1 -17.0 0 6 10 32.2 32.4 -4 2 12 19.5 19.0 -3 3 15 10.5 -11.2 -2 6 10 29.8 29.6 -5 3 12 16.3 16.2 0 2 15 14.7 16.4 -4 6 10 32.9 34.6 -3 3 12 45.2 43.0 1 1 15 12.5 -13.7 -6 6 10 25.4 25.1 -1 3 12 43.1 41.8 -1 1 15 13.8 -15.1 1 7 10 16.8 -17.7 3 3 12 18.6 -18.4 0 0 15 22.2 -23.6 1 9 10 13.8 14.2 0 4 12 18.8 20.2 2 0 15 14.7 -15.1 3 9 10 22.1 22.5 -2 4 12 15.9 16.1 -1 1 16 11.9 -11.1 -3 9 10 13.0 -13.1 -4 4 12 15.9 15.7 -1 3 16 15.3 16.0 -2 8 11 11.6 12.5 -1 5 12 13.1 -11.5 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 7. Tae23-1b H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 1 13 0 7.5 8.0 -4 12 1 14.1 14.5 -2 2 1 40.2 41.2 2 12 0 31.4 32.6 -5 11 1 7.7 8.4 -4 2 1 14.4 -15.7 0 12 0 61.4 59.0 -3 11 1 9.3 8.9 -8 2 1 13.6 14.2 1 11 0 15.4 14.9 3 11 1 16.8 -16.1 -5 1 1 6.0 6.5 6 10 0 10.4 11.1 5 11 1 8.6 -9.0 -3 1 1 23.2 24.7 4 10 0 9.5 10.1 4 10 1 15.5 15.6 -1 1 1 13.1 14.3 0 10 0 5.9 -6.5 2 10 1 17.6 17.1 1 1 1 37.7 -38.2 5 9 0 34.3 34.7 -5 9 1 33.0 -33.7 3 1 1 38.8 -40.7 3 9 0 35.8 36.6 -3 9 1 68.3 -69.0 5 1 1 20.7 -21.0 1 9 0 26.7 -27.4 -1 9 1 45.9 -45.0 6 0 1 15.9 -16.2 6 8 0 15.9 16.0 1 9 1 8.1 -7.7 4 0 1 62.4 -64.1 4 8 0 13.7 13.5 3 9 1 5.1 5.0 2 0 1 92.0 -93.4 7 7 0 6.6 -7.4 5 9 1 8.7 -9.0 0 0 1 54.9 -52.1 5 7 0 7.9 -8.3 6 8 1 8.4 8.3 -2 0 1 47.3 47.1 3 7 0 8.4 -8.1 4 8 1 17.8 17.9 -4 0 1 58.9 60.0 1 7 0 26.7 28.4 2 8 1 27.1 27.1 -6 0 1 17.7 -19.6 4 6 0 7.5 8.0 0 8 1 13.2 13.2 -8 0 1 30.6 -32.3 2 6 0 92.6 93.4 -2 8 1 10.5 -10.9 0 14 2 7.6 7.6 0 6 0 147.0 148.9 -7 7 1 5.3 -5.6 3 13 2 7.1 -7.1 7 5 0 13.0 -12.9 -5 7 1 12.2 12.2 1 13 2 15.1 -14.7 5 5 0 17.9 -18.0 -3 7 1 10.8 11.3 2 12 2 8.4 8.7 3 5 0 11.1 11.9 3 7 1 30.4 -30.8 4 12 2 7.8 8.4 1 5 0 14.3 15.3 5 7 1 17.7 -17.7 3 11 2 7.2 -7.1 8 4 0 6.5 7.0 6 6 1 19.7 -19.3 1 11 2 17.5 -17.1 6 4 0 28.2 27.5 4 6 1 30.0 -30.1 -1 11 2 23.9 -23.1 4 4 0 18.9 19.2 2 6 1 80.4 -81.1 -2 10 2 9.3 9.1 0 4 0 41.0 41.6 0 6 1 51.5 -52.7 0 10 2 20.3 20.2 7 3 0 27.5 27.1 -2 6 1 59.1 59.3 2 10 2 12.5 12.7 5 3 0 66.4 66.1 -4 6 1 27.1 27.7 5 9 2 13.2 13.4 3 3 0 52.1 53.3 -3 5 1 25.1 25.7 3 9 2 13.7 13.7 1 3 0 47.6 -47.5 -1 5 1 18.5 19.4 1 9 2 29.3 29.2 8 2 0 12.3 12.4 1 5 1 36.4 -38.0 -1 9 2 64.7 63.5 6 2 0 15.2 15.6 3 5 1 26.4 -26.8 -3 9 2 18.2 18.8 4 2 0 32.8 34.2 5 5 1 14.0 -14.0 -5 9 2 18.4 -18.8 2 2 0 39.8 40.8 6 4 1 13.9 13.4 -6 8 2 10.2 -10.3 0 2 0 35.5 -37.0 4 4 1 20.1 20.2 -2 8 2 9.7 9.9 7 1 0 13.8 -13.8 2 4 1 52.5 53.7 0 8 2 22.8 22.7 5 1 0 18.3 -18.9 0 4 1 39.3 40.2 2 8 2 21.9 21.9 3 1 0 5.2 5.6 -2 4 1 25.7 -26.4 6 8 2 6.8 -7.1 1 1 0 30.1 30.8 -5 3 1 47.5 -47.1 3 7 2 13.3 -12.8 6 0 0 12.7 12.1 -3 3 1 149.8 -150.6 1 7 2 31.2 -32.3 2 0 0 113.2 115.4 -1 3 1 115.1 -114.3 -1 7 2 45.4 -45.9 2 14 1 9.5 9.5 1 3 1 36.3 35.8 -5 7 2 10.7 10.5 -3 13 1 9.5 8.7 3 3 1 11.7 -12.0 -6 6 2 61.8 61.4 1 13 1 9.6 -9.2 5 3 1 25.0 -24.6 -4 6 2 45.5 45.6 3 13 1 7.8 -8.2 7 3 1 12.2 -12.6 0 6 2 11.5 11.9 4 12 1 16.9 -16.9 6 2 1 6.1 6.2 2 6 2 19.9 19.6 2 12 1 34.4 -33.7 4 2 1 51.2 52.8 4 6 2 27.0 26.8 0 12 1 18.5 -17.7 2 2 1 34.4 36.7 6 6 2 24.9 25.4 -2 12 1 19.3 18.6 0 2 1 11.2 10.3 5 5 2 4.8 4.8 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 3 5 2 30.0 -30.2 -5 11 3 7.4 -8.7 5 3 3 74.9 -72.9 1 5 2 58.9 -60.4 -3 11 3 11.9 -12.0 7 3 3 30.9 -31.3 -1 5 2 27.3 -28.6 -1 11 3 20.5 -19.7 4 2 3 22.7 -23.2 -3 5 2 16.6 -17.1 1 11 3 9.5 -9.1 2 2 3 24.8 -26.3 -5 5 2 4.9 5.3 3 11 3 7.7 7.9 0 2 3 58.7 57.9 -7 5 2 9.4 9.5 4 10 3 9.2 -9.2 -2 2 3 14.9 16.1 -6 4 2 14.8 -14.6 2 10 3 9.1 -8.3 -4 2 3 15.3 15.8 -4 4 2 7.0 6.9 0 10 3 6.8 6.7 -6 2 3 8.4 7.7 -2 4 2 11.3 12.0 -2 10 3 13.4 13.4 -8 2 3 10.6 -10.0 0 4 2 27.0 28.7 -4 10 3 8.4 9.1 -5 1 3 19.1 -19.0 2 4 2 49.8 50.6 -3 9 3 11.7 -11.5 -3 1 3 60.0 -61.8 4 4 2 4.7 -4.5 -1 9 3 24.0 -23.2 -1 1 3 74.9 -75.1 6 4 2 10.9 -10.8 1 9 3 26.5 -25.5 1 1 3 37.7 -36.5 5 3 2 8.9 9.4 3 9 3 45.2 -44.4 3 1 3 5.4 -5.3 3 3 2 29.0 31.0 5 9 3 38.2 -39.0 5 1 3 4.7 4.9 1 3 2 40.6 41.8 6 8 3 6.7 -6.3 8 0 3 9.0 -10.1 -1 3 2 92.2 92.4 4 8 3 10.7 -10.6 6 0 3 7.0 7.5 -3 3 2 52.2 53.1 0 8 3 4.4 4.1 4 0 3 14.6 15.2 -5 3 2 27.7 -27.5 -2 8 3 23.9 24.0 2 0 3 43.7 -45.7 -6 2 2 5.5 -5.8 -4 8 3 12.9 13.2 0 0 3 107.7 -104.7 -4 2 2 22.1 -23.3 -5 7 3 16.1 -16.3 -2 0 3 40.9 -41.2 -2 2 2 38.3 39.4 -3 7 3 24.0 -23.8 -4 0 3 80.7 -80.9 0 2 2 78.1 79.5 -1 7 3 41.6 -42.1 -6 0 3 38.0 -37.5 4 2 2 10.0 9.8 1 7 3 22.8 -23.1 0 14 4 5.9 -5.6 6 2 2 7.1 -7.0 3 7 3 10.5 10.6 1 13 4 9.4 8.9 8 2 2 9.8 -9.9 6 6 3 14.9 14.6 -3 13 4 5.8 -6.1 3 1 2 34.6 -35.7 4 6 3 4.8 4.9 -2 12 4 10.8 11.1 1 1 2 81.9 -83.8 2 6 3 37.3 -38.1 0 12 4 24.5 23.4 -1 1 2 62.5 -63.2 0 6 3 28.8 -30.1 2 12 4 39.4 37.4 -3 1 2 18.3 -19.0 -2 6 3 61.2 -61.8 4 12 4 20.3 20.5 -5 1 2 8.2 8.3 -4 6 3 63.3 -64.0 -3 11 4 7.4 -7.3 -7 1 2 8.5 8.1 -6 6 3 18.5 -18.6 -5 11 4 13.3 -14.8 -6 0 2 72.1 71.2 -5 5 3 11.4 -11.7 -4 10 4 10.7 11.3 -4 0 2 91.8 93.6 -3 5 3 52.7 -52.6 0 10 4 7.4 -7.2 -2 0 2 36.3 -35.7 -1 5 3 41.0 -42.1 2 10 4 7.9 -7.7 0 0 2 15.6 -13.5 1 5 3 14.0 -13.7 5 9 4 10.2 10.3 2 0 2 100.4 102.5 3 5 3 7.4 -7.4 3 9 4 21.9 -20.3 4 0 2 22.6 22.9 5 5 3 6.9 6.7 -1 9 4 8.4 8.6 6 0 2 30.3 29.7 6 4 3 12.0 -11.6 -3 9 4 14.9 15.0 8 0 2 34.2 35.0 4 4 3 11.8 -11.6 -5 9 4 24.4 25.1 -7 3 2 17.4 -19.3 0 4 3 13.5 -13.8 -6 8 4 10.0 10.6 -4 12 2 20.9 21.8 -2 4 3 43.8 44.4 -4 8 4 9.5 10.4 -1 13 2 6.8 -6.7 -4 4 3 22.2 22.5 -2 8 4 6.2 6.0 -2 14 3 7.2 7.7 -6 4 3 6.5 -6.6 0 8 4 13.8 -13.3 -3 13 3 15.5 -15.6 -7 3 3 34.3 -33.9 2 8 4 11.8 -11.5 -1 13 3 11.3 -11.1 -5 3 3 8.5 -8.0 3 7 4 7.3 6.8 2 12 3 13.5 -12.7 -3 3 3 12.0 -12.5 -1 7 4 6.3 6.3 0 12 3 18.9 -18.0 -1 3 3 100.2 -100.9 -3 7 4 12.8 -13.0 -2 12 3 25.2 -24.8 1 3 3 79.3 -79.0 -5 7 4 25.0 -24.9 -4 12 3 28.9 -29.8 3 3 3 63.7 -64.0 -7 7 4 6.6 -7.3 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -4 6 4 23.4 23.6 -1 11 5 14.4 13.8 -4 2 5 14.8 14.5 -2 6 4 22.1 21.3 3 11 5 8.0 -8.1 -6 2 5 5.5 5.3 0 6 4 62.9 62.3 4 10 5 11.5 11.1 -8 2 5 9.5 9.7 2 6 4 93.6 92.0 2 10 5 9.0 8.6 -7 1 5 12.7 -12.4 4 6 4 41.4 40.2 -2 10 5 7.0 -6.9 -3 1 5 13.5 13.7 7 5 4 7.3 -7.2 -5 9 5 10.7 -11.2 -1 1 5 10.8 10.2 5 5 4 11.0 -10.5 -3 9 5 26.9 -27.1 3 1 5 16.6 -16.3 1 5 4 19.0 19.4 -1 9 5 68.4 -68.5 5 1 5 18.9 -18.7 -1 5 4 14.1 -14.2 1 9 5 38.5 -38.6 7 1 5 4.6 -5.0 -3 5 4 26.5 -26.8 3 9 5 10.2 9.9 6 0 5 25.7 -24.7 -5 5 4 18.7 -18.7 5 9 5 8.1 7.8 4 0 5 64.2 -61.9 -7 5 4 13.6 -13.6 6 8 5 10.3 10.3 2 0 5 48.6 -47.5 -6 4 4 14.7 14.6 4 8 5 20.0 19.2 0 0 5 93.5 91.7 -4 4 4 13.7 13.2 2 8 5 9.0 8.7 -2 0 5 35.7 34.1 -2 4 4 24.7 24.6 -6 8 5 7.5 8.2 -4 0 5 38.0 -37.5 0 4 4 21.3 -21.9 -1 7 5 21.4 22.2 -6 0 5 14.8 -13.9 2 4 4 19.6 -19.8 3 7 5 16.6 -16.2 -8 0 5 17.8 -16.9 4 4 4 10.8 10.7 5 7 5 7.7 -7.9 1 13 6 7.8 -7.8 6 4 4 6.8 7.4 6 6 5 22.5 -22.7 -3 13 6 7.7 7.6 7 3 4 33.7 33.9 4 6 5 53.8 -53.9 -4 12 6 28.1 30.9 5 3 4 22.7 22.3 2 6 5 13.5 -12.9 -2 12 6 27.3 27.8 3 3 4 32.5 -32.8 0 6 5 31.7 32.0 2 12 6 7.8 -7.8 1 3 4 35.4 -34.4 -2 6 5 14.2 14.8 3 11 6 11.4 -11.6 -1 3 4 44.3 45.1 -4 6 5 8.5 -8.9 1 11 6 7.3 -7.3 -3 3 4 30.3 30.2 -6 6 5 18.7 -18.4 -5 11 6 8.0 8.6 -5 3 4 29.9 29.3 -7 5 5 12.9 -12.4 -2 10 6 5.9 5.2 -7 3 4 35.4 34.5 -3 5 5 16.6 16.8 0 10 6 15.4 14.8 -6 2 4 20.0 19.4 1 5 5 5.6 5.6 2 10 6 19.6 19.2 -4 2 4 32.8 33.4 3 5 5 9.9 -9.3 4 10 6 8.2 8.2 -2 2 4 22.5 -23.1 5 5 5 18.8 -18.3 3 9 6 37.7 35.9 4 2 4 10.3 -10.2 6 4 5 16.3 16.3 1 9 6 50.9 51.6 6 2 4 14.7 14.4 4 4 5 30.4 29.4 -1 9 6 20.7 20.8 7 1 4 10.6 -10.7 2 4 5 6.6 6.4 -3 9 6 6.7 -7.3 5 1 4 10.7 -10.1 0 4 5 15.8 15.9 0 8 6 24.8 24.6 1 1 4 7.0 7.2 -4 4 5 11.2 -10.9 2 8 6 21.9 21.5 -1 1 4 18.1 -16.5 -6 4 5 14.3 13.5 4 8 6 10.9 10.3 -3 1 4 32.5 -32.4 -8 4 5 9.6 9.7 3 7 6 20.2 -19.5 -5 1 4 29.2 -28.5 -7 3 5 9.1 -9.3 1 7 6 11.9 -11.7 -7 1 4 15.2 -14.4 -5 3 5 27.5 -25.6 -5 7 6 13.8 13.7 -4 0 4 20.3 20.0 -3 3 5 62.5 -61.8 -6 6 6 23.7 23.7 -2 0 4 80.2 77.9 -1 3 5 115.3 -113.7 -4 6 6 69.9 68.5 0 0 4 55.5 53.3 1 3 5 95.1 -92.4 -2 6 6 73.7 73.1 2 0 4 116.9 115.9 3 3 5 5.6 5.2 0 6 6 5.2 -5.6 4 0 4 78.4 77.4 5 3 5 20.9 20.1 2 6 6 7.3 -7.8 -4 12 4 7.2 7.5 7 3 5 10.2 -10.7 4 6 6 24.7 23.5 -3 13 5 6.1 6.5 6 2 5 13.8 13.6 6 6 6 23.1 23.8 2 12 5 10.3 -9.9 4 2 5 23.4 23.7 3 5 6 11.5 -11.3 0 12 5 14.3 13.8 2 2 5 45.0 44.6 1 5 6 28.8 -28.7 -2 12 5 7.4 6.9 0 2 5 9.2 -8.3 -1 5 6 9.9 -9.6 -4 12 5 7.4 -7.6 -2 2 5 12.1 -12.0 -3 5 6 17.6 17.8 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -5 5 6 8.3 8.0 -3 7 7 15.2 -14.7 2 8 8 7.5 -7.3 -4 4 6 5.7 -5.2 -1 7 7 27.5 -27.9 5 7 8 5.1 -5.2 -2 4 6 4.5 4.2 1 7 7 6.1 -6.3 3 7 8 6.5 6.5 0 4 6 52.6 52.3 4 6 7 10.0 9.3 -1 7 8 14.4 -14.6 2 4 6 33.9 33.2 0 6 7 47.1 -46.5 -3 7 8 13.3 -13.6 4 4 6 14.4 13.9 -2 6 7 59.3 -58.0 -5 7 8 10.8 -11.5 3 3 6 49.1 48.5 -4 6 7 21.1 -20.7 -4 6 8 18.7 -18.6 1 3 6 113.4 111.6 -6 6 7 14.1 13.7 -2 6 8 24.1 23.7 -1 3 6 48.2 46.2 -7 5 7 8.2 8.0 0 6 8 52.0 51.8 -3 3 6 32.2 -31.6 -3 5 7 12.3 -12.7 2 6 8 28.5 29.1 -5 3 6 5.2 -4.8 -1 5 7 21.4 -21.2 4 6 8 24.1 23.6 -7 3 6 13.9 13.2 1 5 7 24.1 -23.8 -3 5 8 26.8 -27.2 -6 2 6 11.6 -10.4 5 5 7 9.4 9.2 -5 5 8 17.4 -17.0 -2 2 6 31.0 30.6 4 4 7 12.9 -12.4 -4 4 8 28.2 26.9 0 2 6 20.1 19.6 2 4 7 14.9 14.7 0 4 8 11.8 -12.0 2 2 6 51.0 50.2 0 4 7 38.5 37.2 4 4 8 7.2 -7.0 4 2 6 24.1 23.8 -2 4 7 20.4 19.8 1 3 8 12.1 -12.8 6 2 6 5.5 -5.3 -4 4 7 18.1 17.8 -1 3 8 13.9 -14.2 3 1 6 19.9 -19.5 -7 3 7 38.6 -37.3 -3 3 8 46.5 45.3 1 1 6 30.6 -29.4 -5 3 7 40.2 -38.2 -5 3 8 50.6 50.3 -1 1 6 8.4 -8.1 -3 3 7 5.4 5.6 -7 3 8 9.9 10.0 -3 1 6 14.9 14.4 -1 3 7 19.5 19.0 -6 2 8 15.0 14.1 -5 1 6 13.4 12.6 1 3 7 32.2 -30.6 -4 2 8 13.1 12.6 -8 0 6 8.0 8.6 3 3 7 55.4 -54.0 -2 2 8 22.0 20.4 -6 0 6 44.6 43.4 5 3 7 30.7 -31.2 2 2 8 25.2 -24.7 -4 0 6 93.4 90.2 0 2 7 32.5 31.9 -1 1 8 13.9 -13.4 -2 0 6 91.6 90.9 -2 2 7 55.7 53.5 -3 1 8 31.4 -30.0 0 0 6 36.9 35.5 -4 2 7 5.9 5.6 -5 1 8 20.4 -19.6 2 0 6 19.7 -19.5 -7 1 7 7.8 7.3 -8 0 8 19.8 19.9 4 0 6 26.6 25.2 -3 1 7 19.2 -18.6 -6 0 8 9.9 -9.5 6 0 6 40.3 39.0 -1 1 7 35.8 -33.5 -4 0 8 7.7 -7.5 -5 9 6 6.9 -6.8 1 1 7 25.9 -24.3 -2 0 8 31.9 30.1 -1 13 7 7.1 -7.0 5 1 7 8.7 8.2 0 0 8 59.3 58.2 1 13 7 7.5 -7.5 2 0 7 14.4 14.5 2 0 8 59.6 57.8 0 12 7 20.8 -20.4 0 0 7 52.9 -50.6 4 0 8 26.5 26.3 -2 12 7 28.9 -30.1 -2 0 7 109.8 -109.1 6 0 8 12.9 13.2 -3 11 7 6.6 -7.2 -4 0 7 13.8 -12.8 -3 9 9 34.2 -34.4 -1 11 7 14.6 -14.7 -6 0 7 21.5 19.7 -1 9 9 27.5 -28.0 0 10 7 13.7 13.6 0 12 8 21.7 21.5 1 9 9 21.8 -22.1 -2 10 7 14.7 15.1 2 12 8 13.4 14.4 3 9 9 21.1 -21.1 -5 9 7 26.5 -27.9 -1 11 8 7.8 -7.9 0 8 9 11.1 -10.8 -3 9 7 7.7 7.3 -3 11 8 7.6 -7.9 -2 8 9 7.1 -7.0 -1 9 7 19.4 19.1 -4 10 8 9.4 9.8 1 7 9 5.9 -5.6 1 9 7 21.9 -22.5 2 10 8 8.4 -8.1 5 7 9 8.0 -8.2 3 9 7 28.7 -27.9 1 9 8 9.2 -8.8 4 6 9 12.2 -12.7 5 9 7 13.9 -15.3 -3 9 8 21.6 21.6 -6 6 9 19.6 -20.0 4 8 7 7.4 -6.9 -5 9 8 30.6 30.0 -5 5 9 8.2 -8.6 0 8 7 22.6 22.3 -4 8 8 15.1 15.0 -3 5 9 6.8 -6.9 -2 8 7 17.4 17.5 -2 8 8 7.9 8.1 3 5 9 13.2 -12.7 -4 8 7 9.5 9.4 0 8 8 6.5 -6.4 5 5 9 7.9 -8.3 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 4 4 9 8.3 8.4 1 1 10 12.7 -13.6 -1 3 12 28.4 30.0 0 4 9 20.1 -20.4 -1 1 10 7.4 -7.7 -3 3 12 28.0 30.2 -6 4 9 5.2 5.3 -5 1 10 5.7 5.3 -5 3 12 10.6 11.1 -7 3 9 6.9 7.1 -6 0 10 23.7 26.2 -4 2 12 12.2 12.5 -5 3 9 22.4 -22.2 -4 0 10 25.0 27.2 -2 2 12 17.9 20.5 -3 3 9 50.6 -50.8 -2 0 10 45.1 47.8 3 1 12 7.1 7.2 -1 3 9 54.7 -55.3 0 0 10 31.7 32.5 -1 1 12 7.8 -8.5 1 3 9 50.6 -49.6 4 0 10 4.7 -4.0 -3 1 12 7.8 -8.9 3 3 9 27.1 -27.8 2 10 10 6.2 6.2 -6 0 12 18.6 19.4 6 2 9 8.8 9.4 0 10 11 7.8 8.1 -2 0 12 10.5 -11.8 -2 2 9 21.1 -21.1 2 8 11 6.7 6.9 0 0 12 19.7 22.9 -6 2 9 14.9 15.1 -2 8 11 8.5 8.7 2 0 12 32.9 36.0 -7 1 9 11.4 -12.1 1 7 11 8.9 -8.9 4 0 12 20.5 20.6 -5 1 9 12.5 -13.3 2 6 11 17.5 -17.4 -1 9 13 18.7 -17.9 -3 1 9 5.0 -5.1 0 6 11 31.1 -31.1 1 7 13 7.0 6.5 3 1 9 12.5 -12.7 -2 6 11 10.4 -9.7 0 6 13 11.3 11.5 5 1 9 10.5 -10.8 -1 5 11 13.7 -13.9 -2 6 13 6.3 6.1 6 0 9 26.7 -27.0 2 4 11 6.7 7.6 -4 6 13 18.2 -17.8 4 0 9 11.1 -11.0 0 4 11 19.3 20.6 -5 5 13 7.1 -7.5 0 0 9 18.1 -20.3 -2 4 11 13.4 13.5 -4 4 13 9.6 9.9 -2 0 9 11.1 12.1 -7 3 11 13.0 -13.4 -5 3 13 9.4 8.9 -6 0 9 34.1 -33.4 -5 3 11 20.5 -21.0 -3 3 13 8.2 -8.9 3 9 10 19.3 19.9 -3 3 11 25.2 -25.9 -1 3 13 31.5 -34.2 1 9 10 11.7 11.9 3 3 11 9.3 -9.8 1 3 13 22.4 -23.8 -4 8 10 7.6 -8.0 5 3 11 20.3 -20.3 3 3 13 7.2 -7.2 4 8 10 7.4 7.6 2 2 11 18.0 19.3 -2 2 13 6.7 7.1 3 7 10 7.7 -8.3 0 2 11 12.0 13.6 -6 2 13 6.3 6.5 1 7 10 12.9 -13.4 -4 2 11 8.9 9.2 1 1 13 5.1 4.7 -3 7 10 5.1 5.0 -3 1 11 5.8 -5.2 4 0 13 12.2 -11.4 -6 6 10 19.8 21.0 -1 1 11 12.5 -13.9 0 0 13 16.6 17.1 -4 6 10 27.3 27.3 1 1 11 11.1 -12.1 -4 0 13 15.1 -16.1 -2 6 10 24.0 23.7 2 0 11 29.5 -31.7 -6 0 13 17.4 -18.0 0 6 10 26.7 26.6 0 0 11 28.6 -31.2 -4 6 14 18.0 17.4 4 6 10 10.3 -10.1 -2 0 11 8.4 -9.4 -2 6 14 19.0 18.2 3 5 10 11.6 -12.1 -2 10 12 8.1 7.8 1 5 14 5.5 -5.1 1 5 10 7.8 -7.7 -1 9 12 18.3 18.4 -2 4 14 6.7 -5.8 -5 5 10 7.0 6.9 -3 9 12 23.5 23.0 1 3 14 8.3 8.1 -4 4 10 11.8 -12.4 -4 8 12 6.8 7.0 -3 3 14 11.2 -11.1 0 4 10 5.3 5.9 -2 8 12 8.4 8.5 -4 2 14 5.9 -5.9 2 4 10 9.0 9.2 0 8 12 7.8 7.4 3 1 14 8.5 -7.8 4 4 10 12.4 13.2 -3 7 12 9.3 -9.2 1 1 14 5.9 -6.0 5 3 10 20.1 20.7 2 6 12 29.5 29.8 -4 0 14 27.1 27.3 3 3 10 31.3 32.8 3 5 12 8.1 7.9 -2 0 14 22.7 22.6 1 3 10 9.0 10.0 -1 5 12 7.2 -7.4 2 0 14 6.1 5.4 -5 3 10 8.3 -8.2 -5 5 12 6.0 -5.8 -2 6 15 11.0 -10.1 -2 2 10 10.8 -11.9 -6 4 12 7.0 6.8 -1 5 15 7.4 -6.4 0 2 10 10.6 11.2 -4 4 12 10.2 10.5 1 3 15 6.6 -5.8 2 2 10 16.4 18.5 -2 4 12 10.1 10.9 0 2 15 9.0 8.2 5 1 10 7.6 -7.4 0 4 12 13.1 13.8 -1 1 15 8.3 -7.9 3 1 10 13.1 -14.0 3 3 12 11.7 -12.2 1 1 15 8.4 -7.2 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 2 0 15 10.6 -8.9 -1 3 16 10.0 8.3 -3 1 16 6.9 -5.7 0 0 15 14.1 -12.8 -1 1 16 6.1 -5.1 -2 0 16 6.3 5.5 -2 0 15 8.8 -7.7 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 8. Tae23-1c H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 0 12 0 44.6 43.8 4 6 1 24.1 -24.5 -2 8 2 8.1 8.4 1 11 0 11.2 10.9 2 6 1 72.6 -72.6 0 8 2 19.9 20.1 4 10 0 8.2 7.6 0 6 1 47.0 -49.3 2 8 2 19.3 18.9 6 10 0 7.1 6.2 -2 6 1 51.3 52.3 3 7 2 11.4 -11.0 5 9 0 23.6 21.6 -4 6 1 18.2 20.1 1 7 2 28.7 -29.8 3 9 0 26.2 27.1 -3 5 1 21.6 20.9 -1 7 2 40.3 -40.8 1 9 0 20.8 -22.4 -1 5 1 16.6 18.1 -6 6 2 37.7 38.3 6 8 0 9.5 9.1 1 5 1 34.7 -34.8 -4 6 2 37.5 37.4 4 8 0 10.7 9.6 3 5 1 22.3 -22.8 0 6 2 10.7 12.4 3 7 0 6.9 -6.7 5 5 1 10.6 -10.4 2 6 2 17.1 17.9 1 7 0 23.5 25.0 6 4 1 9.5 8.9 4 6 2 22.3 21.4 4 6 0 6.6 7.7 4 4 1 17.0 16.7 6 6 2 16.4 17.4 2 6 0 83.6 84.2 2 4 1 49.9 48.8 3 5 2 25.9 -26.4 0 6 0 136.9 141.0 0 4 1 35.7 37.4 1 5 2 59.0 -58.7 5 5 0 13.6 -13.6 -2 4 1 25.5 -24.7 -1 5 2 27.3 -27.1 3 5 0 9.8 9.9 -5 3 1 34.4 -35.7 -3 5 2 15.4 -15.0 1 5 0 12.5 13.1 -3 3 1 133.2 -136.8 -4 4 2 5.6 5.9 6 4 0 20.0 18.0 -1 3 1 113.7 -114.3 -2 4 2 12.3 11.0 4 4 0 16.0 15.5 1 3 1 34.5 33.0 0 4 2 28.5 28.9 0 4 0 44.7 43.0 3 3 1 12.0 -13.2 2 4 2 48.1 49.4 7 3 0 16.4 16.0 5 3 1 20.1 -18.0 3 3 2 28.3 29.2 5 3 0 50.4 48.9 7 3 1 7.4 -7.4 1 3 2 42.3 41.3 3 3 0 46.8 48.7 4 2 1 44.4 44.7 -1 3 2 91.6 90.9 1 3 0 46.7 -44.5 2 2 1 34.5 33.8 -3 3 2 45.5 47.6 6 2 0 11.0 9.9 -2 2 1 40.4 40.5 -5 3 2 18.5 -20.3 4 2 0 27.0 27.3 -4 2 1 11.6 -13.1 -4 2 2 18.0 -19.6 2 2 0 40.0 39.7 -3 1 1 19.6 20.0 -2 2 2 35.5 36.3 0 2 0 35.0 -36.7 -1 1 1 13.9 12.6 0 2 2 81.3 80.0 7 1 0 8.8 -8.1 1 1 1 35.4 -37.5 4 2 2 9.0 9.0 5 1 0 14.6 -14.5 3 1 1 36.7 -37.2 3 1 2 32.1 -32.5 3 1 0 4.5 5.6 5 1 1 16.9 -16.5 1 1 2 86.2 -83.5 1 1 0 26.8 28.7 6 0 1 11.1 -11.6 -1 1 2 59.5 -61.0 6 0 0 8.5 9.0 4 0 1 55.1 -54.0 -3 1 2 16.2 -16.1 2 0 0 108.5 109.9 2 0 1 88.7 -90.2 -6 0 2 45.8 47.5 4 12 1 12.5 -12.1 0 0 1 58.6 -52.6 -4 0 2 81.2 81.4 2 12 1 23.0 -23.5 -2 0 1 41.3 42.6 -2 0 2 34.3 -32.4 3 11 1 11.6 -11.4 -4 0 1 48.2 49.1 0 0 2 11.0 -10.2 4 10 1 11.7 10.8 -8 0 1 17.9 -15.8 2 0 2 102.0 101.6 2 10 1 13.6 13.6 -5 9 1 23.7 -22.4 4 0 2 20.6 18.9 -3 9 1 53.7 -53.5 1 13 2 10.6 -10.4 6 0 2 22.1 21.4 -1 9 1 38.9 -39.9 -4 12 2 16.0 14.7 8 0 2 19.4 17.6 1 9 1 8.0 -8.5 1 11 2 14.2 -13.9 -3 13 3 11.3 -10.5 4 8 1 14.6 13.6 -1 11 2 18.8 -18.6 -1 13 3 8.1 -8.4 2 8 1 23.0 23.4 -2 10 2 7.6 7.9 0 12 3 14.4 -14.6 0 8 1 12.0 11.9 0 10 2 17.9 17.9 -2 12 3 19.8 -19.8 -2 8 1 8.3 -8.7 2 10 2 10.7 11.0 -4 12 3 19.8 -18.4 -3 7 1 9.2 8.6 3 9 2 13.0 12.2 -3 11 3 8.7 -8.6 3 7 1 26.2 -26.4 1 9 2 25.8 26.7 -1 11 3 15.4 -15.2 5 7 1 13.0 -12.3 -1 9 2 53.6 53.3 1 11 3 6.7 -7.2 6 6 1 13.2 -13.0 -3 9 2 15.0 13.2 4 10 3 7.2 -6.7 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 2 10 3 6.0 -6.3 0 0 3 112.0 -108.8 -6 2 4 13.7 13.4 0 10 3 6.5 6.1 -2 0 3 40.7 -39.7 -4 2 4 29.0 29.9 -2 10 3 12.1 11.1 -4 0 3 69.5 -69.5 -2 2 4 22.2 -21.8 -4 10 3 6.7 6.7 -6 0 3 23.2 -24.7 4 2 4 8.2 -8.2 -3 9 3 8.5 -8.5 -6 6 3 11.1 -10.5 6 2 4 9.6 9.9 -1 9 3 18.7 -18.5 1 13 4 6.1 6.8 5 1 4 7.8 -8.0 1 9 3 21.8 -22.6 -2 12 4 9.5 9.2 1 1 4 8.4 8.6 3 9 3 35.1 -36.0 0 12 4 20.6 20.4 -1 1 4 15.4 -14.6 5 9 3 26.4 -25.3 2 12 4 27.9 27.3 -3 1 4 30.1 -29.9 4 8 3 8.2 -7.1 4 12 4 14.2 12.4 -5 1 4 21.3 -21.9 0 8 3 4.6 5.1 -5 11 4 9.1 -9.0 -7 1 4 9.5 -8.5 -2 8 3 20.4 21.5 0 10 4 6.2 -6.1 -4 0 4 17.7 17.4 -4 8 3 10.9 10.6 2 10 4 5.4 -5.9 -2 0 4 79.5 77.5 -5 7 3 10.9 -11.8 5 9 4 8.3 7.3 0 0 4 56.6 54.1 -3 7 3 20.4 -20.7 3 9 4 15.2 -15.2 2 0 4 117.6 116.0 -1 7 3 39.6 -39.8 -1 9 4 6.2 6.3 4 0 4 66.8 65.9 1 7 3 21.2 -20.8 -3 9 4 12.8 13.0 -4 10 4 9.5 8.7 3 7 3 9.3 9.1 -5 9 4 18.0 18.4 2 12 5 8.3 -7.7 6 6 3 10.2 8.8 -6 8 4 6.9 6.6 0 12 5 10.9 9.9 2 6 3 32.6 -33.8 -4 8 4 9.2 7.9 -1 11 5 10.8 11.2 0 6 3 29.8 -29.7 0 8 4 11.4 -11.3 4 10 5 7.5 8.4 -2 6 3 57.7 -57.4 2 8 4 10.3 -10.4 2 10 5 7.5 7.5 -4 6 3 49.3 -50.2 -1 7 4 6.0 6.5 -5 9 5 8.4 -8.5 -5 5 3 9.0 -8.4 -3 7 4 11.4 -11.1 -3 9 5 22.9 -23.6 -3 5 3 45.7 -45.9 -5 7 4 16.3 -17.4 -1 9 5 59.4 -59.4 -1 5 3 40.7 -41.1 -4 6 4 18.9 18.5 1 9 5 33.6 -32.9 1 5 3 13.5 -13.4 -2 6 4 21.1 20.8 3 9 5 7.0 6.9 3 5 3 6.3 -5.6 0 6 4 61.2 60.4 6 8 5 6.9 6.3 6 4 3 7.5 -7.4 2 6 4 85.8 84.9 4 8 5 14.1 14.4 4 4 3 10.1 -9.7 4 6 4 31.5 31.4 2 8 5 7.7 7.7 0 4 3 13.3 -12.6 5 5 4 7.6 -7.5 -1 7 5 20.8 19.8 -2 4 3 41.7 43.1 1 5 4 18.2 18.3 3 7 5 14.0 -14.2 -4 4 3 18.5 18.1 -1 5 4 14.1 -12.9 6 6 5 14.4 -14.3 -3 3 3 10.8 -11.8 -3 5 4 23.9 -23.8 4 6 5 42.8 -42.4 -1 3 3 99.9 -100.8 -5 5 4 14.2 -13.7 2 6 5 13.5 -12.8 1 3 3 78.2 -76.4 -7 5 4 8.8 -8.0 0 6 5 30.0 30.3 3 3 3 58.2 -57.8 -6 4 4 10.3 10.4 -2 6 5 13.2 14.4 5 3 3 56.8 -55.3 -4 4 4 12.0 12.1 -6 6 5 12.1 -12.6 7 3 3 19.2 -17.2 -2 4 4 23.6 24.2 -7 5 5 8.1 -7.0 4 2 3 19.3 -18.9 0 4 4 21.2 -21.8 -3 5 5 15.0 14.9 2 2 3 25.7 -25.8 2 4 4 17.9 -17.9 1 5 5 6.2 5.5 0 2 3 61.1 59.7 4 4 4 8.6 9.5 3 5 5 8.0 -8.4 -2 2 3 15.9 16.0 7 3 4 19.4 19.1 5 5 5 13.1 -13.4 -4 2 3 13.6 13.6 5 3 4 17.1 17.3 6 4 5 10.9 10.2 -5 1 3 14.8 -14.3 3 3 4 29.5 -29.5 4 4 5 24.1 23.9 -3 1 3 56.1 -57.3 1 3 4 35.6 -33.6 2 4 5 6.5 6.7 -1 1 3 78.1 -76.6 -1 3 4 44.3 46.3 0 4 5 15.6 16.7 1 1 3 38.5 -36.7 -3 3 4 28.1 28.6 -4 4 5 9.8 -9.3 4 0 3 12.9 13.3 -5 3 4 24.1 24.0 -6 4 5 9.7 9.4 2 0 3 44.2 -46.3 -7 3 4 21.3 20.2 -5 3 5 21.5 -20.7 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -3 3 5 58.1 -57.4 0 4 6 52.8 52.3 0 4 7 36.8 36.2 -1 3 5 114.8 -115.0 2 4 6 31.7 31.1 -2 4 7 18.9 18.5 1 3 5 93.3 -93.4 4 4 6 10.9 11.0 -4 4 7 15.1 15.2 3 3 5 5.3 5.6 3 3 6 42.8 43.1 -7 3 7 21.7 -22.3 5 3 5 15.5 14.2 1 3 6 110.8 112.4 -5 3 7 31.9 -30.0 7 3 5 7.0 -6.5 -1 3 6 46.9 47.2 -1 3 7 19.3 18.7 6 2 5 9.1 9.0 -3 3 6 27.8 -28.5 1 3 7 32.2 -32.7 4 2 5 19.1 19.4 -7 3 6 7.7 6.9 3 3 7 50.0 -49.5 2 2 5 42.2 42.9 -6 2 6 7.5 -7.0 5 3 7 21.8 -23.3 0 2 5 8.7 -7.1 -2 2 6 30.1 31.3 0 2 7 32.6 32.7 -2 2 5 11.8 -11.2 0 2 6 19.9 19.5 -2 2 7 53.0 51.7 -4 2 5 12.1 12.5 2 2 6 47.1 47.7 -3 1 7 17.9 -18.0 -3 1 5 12.4 13.1 4 2 6 18.8 19.6 -1 1 7 35.1 -34.4 -1 1 5 10.3 9.6 3 1 6 17.1 -18.0 1 1 7 24.7 -25.8 3 1 5 14.8 -15.2 1 1 6 29.8 -28.3 2 0 7 13.8 14.6 5 1 5 13.4 -14.4 -1 1 6 9.0 -8.4 0 0 7 54.1 -52.4 6 0 5 15.8 -16.6 -3 1 6 13.3 13.1 -2 0 7 109.1 -109.8 4 0 5 53.3 -53.5 -5 1 6 10.3 9.9 -4 0 7 12.0 -11.0 2 0 5 47.1 -47.7 -6 0 6 29.9 31.7 -6 0 7 13.5 12.4 0 0 5 96.0 95.4 -4 0 6 80.0 79.1 0 12 8 16.2 16.1 -2 0 5 34.3 32.6 -2 0 6 92.6 91.3 2 12 8 11.0 11.9 -4 0 5 31.7 -32.3 0 0 6 35.4 35.4 1 9 8 8.0 -7.9 -6 0 5 9.5 -9.8 2 0 6 18.5 -19.4 -3 9 8 18.0 17.8 -8 0 5 11.1 -9.8 4 0 6 21.3 22.5 -5 9 8 19.1 19.4 -7 1 5 8.0 -7.5 6 0 6 25.5 25.9 -4 8 8 11.7 11.9 -4 12 6 19.8 20.0 0 12 7 16.8 -16.4 -1 7 8 13.8 -13.6 -2 12 6 20.5 19.7 -2 12 7 21.6 -21.5 -3 7 8 12.1 -11.8 3 11 6 8.8 -8.9 -1 11 7 11.7 -12.1 -5 7 8 8.6 -8.8 1 11 6 7.3 -6.9 0 10 7 11.2 11.6 -4 6 8 15.2 -14.3 0 10 6 14.2 13.6 -2 10 7 12.4 12.7 -2 6 8 21.8 21.4 2 10 6 13.8 15.3 -5 9 7 18.7 -18.5 0 6 8 49.9 50.2 3 9 6 27.3 27.7 -1 9 7 15.2 15.3 2 6 8 26.3 27.2 1 9 6 44.2 43.9 1 9 7 20.2 -19.0 4 6 8 20.7 19.7 -1 9 6 18.1 18.1 3 9 7 21.7 -21.6 -3 5 8 25.3 -25.1 0 8 6 21.7 21.8 5 9 7 9.5 -10.8 -5 5 8 13.1 -13.4 2 8 6 18.1 18.7 0 8 7 20.1 20.4 -4 4 8 22.7 23.4 4 8 6 8.1 7.2 -2 8 7 15.2 15.8 -2 4 8 13.0 12.7 3 7 6 16.3 -16.1 -4 8 7 7.1 7.5 0 4 8 11.3 -11.4 1 7 6 11.8 -11.5 -3 7 7 13.7 -13.7 1 3 8 12.3 -11.4 -5 7 6 9.8 10.1 -1 7 7 26.7 -26.3 -1 3 8 14.2 -14.7 -6 6 6 16.9 16.7 4 6 7 7.0 6.9 -3 3 8 42.3 42.4 -4 6 6 54.4 55.2 0 6 7 44.8 -44.5 -5 3 8 38.5 38.6 -2 6 6 68.7 67.9 -2 6 7 54.3 -53.6 -6 2 8 10.1 10.6 2 6 6 6.1 -7.0 -4 6 7 16.9 -17.2 -4 2 8 10.9 11.1 4 6 6 17.9 18.7 -6 6 7 7.4 7.9 -2 2 8 20.8 20.6 6 6 6 13.8 14.5 -3 5 7 11.1 -11.6 2 2 8 23.8 -24.3 3 5 6 9.6 -10.7 -1 5 7 20.9 -21.2 -1 1 8 13.9 -15.1 1 5 6 27.5 -27.1 1 5 7 23.1 -23.7 -3 1 8 28.3 -28.6 -1 5 6 9.8 -9.7 4 4 7 9.8 -10.0 -5 1 8 14.8 -15.8 -3 5 6 15.4 15.4 2 4 7 14.2 14.1 -8 0 8 12.1 10.2 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -6 0 8 6.9 -5.6 2 4 10 9.9 9.8 2 6 12 28.5 28.6 -4 0 8 6.0 -5.7 4 4 10 10.7 11.5 -4 4 12 10.4 10.5 -2 0 8 31.7 31.0 5 3 10 15.8 16.0 -2 4 12 11.4 12.0 0 0 8 61.0 60.8 3 3 10 31.8 31.9 0 4 12 14.5 14.3 2 0 8 56.1 55.6 1 3 10 10.0 9.8 3 3 12 12.0 -12.1 4 0 8 20.9 23.3 -2 2 10 11.6 -11.9 -1 3 12 34.4 32.6 6 0 8 10.3 9.7 0 2 10 11.8 11.8 -3 3 12 30.7 29.8 -2 8 8 8.3 7.7 2 2 10 18.6 18.5 -5 3 12 8.6 9.8 -1 11 8 7.7 -6.7 3 1 10 11.9 -13.7 -4 2 12 11.8 11.9 -3 9 9 28.2 -27.7 1 1 10 13.5 -14.2 -2 2 12 20.7 22.3 -1 9 9 25.1 -26.2 -1 1 10 9.3 -7.4 -1 1 12 8.1 -9.3 1 9 9 20.4 -20.8 -6 0 10 17.5 19.0 -3 1 12 7.8 -9.1 3 9 9 16.9 -16.5 -4 0 10 24.1 25.5 -6 0 12 13.1 14.4 0 8 9 9.5 -9.4 -2 0 10 50.9 50.1 -2 0 12 11.9 -12.6 -5 7 9 9.9 -9.1 0 0 10 36.3 36.9 0 0 12 23.8 24.9 4 6 9 9.8 -10.3 -1 5 10 9.9 -8.0 2 0 12 37.0 37.9 -6 6 9 13.8 -13.7 -3 9 11 8.8 -9.1 4 0 12 16.8 18.0 -5 5 9 6.8 -6.7 1 9 11 9.5 8.7 0 6 12 10.7 9.7 3 5 9 11.5 -10.5 0 8 11 13.2 12.7 -2 8 12 9.0 8.4 4 4 9 6.8 7.5 -2 8 11 7.2 7.6 0 8 12 8.0 7.3 0 4 9 21.4 -21.1 -3 7 11 6.7 -5.9 -2 10 12 7.1 7.6 -2 4 9 6.5 -6.0 1 7 11 9.8 -9.4 -1 9 13 17.0 -16.8 -5 3 9 18.0 -17.1 2 6 11 19.0 -16.8 0 6 13 12.2 12.3 -3 3 9 47.4 -48.1 0 6 11 30.9 -31.6 -4 6 13 15.1 -15.4 -1 3 9 57.2 -56.9 -2 6 11 8.8 -9.1 -5 5 13 7.7 -6.8 1 3 9 49.4 -51.0 -1 5 11 14.7 -14.0 -4 4 13 8.9 9.2 3 3 9 27.5 -26.7 1 5 11 8.8 -9.3 -3 3 13 9.7 -9.2 -2 2 9 20.7 -21.2 2 4 11 8.1 7.7 -1 3 13 37.9 -37.2 -6 2 9 10.4 10.9 0 4 11 21.9 22.3 1 3 13 26.0 -25.4 -7 1 9 8.0 -7.8 -2 4 11 13.6 13.8 -2 2 13 8.3 7.3 -5 1 9 9.9 -11.1 -7 3 11 8.6 -9.4 4 0 13 9.2 -10.1 3 1 9 11.4 -11.6 -5 3 11 17.6 -18.1 0 0 13 18.8 19.2 5 1 9 7.5 -8.3 -3 3 11 26.1 -25.1 -4 0 13 13.2 -14.9 6 0 9 19.4 -18.9 1 3 11 14.0 13.9 -6 0 13 13.2 -13.5 4 0 9 8.8 -9.0 3 3 11 9.6 -9.3 -4 6 14 15.9 15.1 0 0 9 20.9 -22.1 5 3 11 15.8 -16.4 -2 6 14 18.2 18.1 -2 0 9 12.7 11.3 2 2 11 18.6 19.8 1 3 14 8.4 8.4 -6 0 9 23.7 -24.6 0 2 11 14.4 15.2 -3 3 14 11.7 -11.6 3 9 10 16.5 16.3 -2 2 11 12.6 13.4 3 1 14 7.5 -7.4 1 9 10 10.8 11.0 -4 2 11 8.9 8.2 -4 0 14 26.2 25.8 1 7 10 13.0 -12.9 -1 1 11 14.7 -15.1 -2 0 14 22.0 24.4 -6 6 10 13.2 13.9 1 1 11 12.0 -12.8 -2 6 15 10.6 -9.9 -4 6 10 26.0 24.6 4 0 11 6.5 6.4 0 2 15 9.4 8.8 -2 6 10 24.8 24.2 2 0 11 31.8 -32.7 -1 1 15 9.3 -8.9 0 6 10 28.8 26.7 0 0 11 35.4 -34.6 1 1 15 8.7 -8.0 4 6 10 8.4 -8.4 -2 0 11 9.9 -9.2 2 0 15 8.9 -9.6 3 5 10 11.5 -11.6 -1 9 12 18.5 16.5 0 0 15 13.6 -13.7 1 5 10 8.4 -7.5 -3 9 12 19.7 19.4 -2 0 15 7.7 -8.2 -4 4 10 10.5 -10.3 -3 7 12 8.3 -8.9 -1 3 16 9.4 9.4 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 9. Tpq16-4A H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 2 14 -3 7.7 8.1 1 3 -3 97.3 -98.5 -4 0 -2 23.4 23.2 3 13 -3 14.2 -13.6 -1 3 -3 80.6 -81.4 -6 0 -2 28.8 28.6 1 13 -3 11.4 -10.7 -3 3 -3 66.5 -68.3 -8 0 -2 29.7 29.9 0 12 -3 17.2 -17.4 -5 3 -3 71.2 -71.5 -8 2 -2 8.2 -7.8 2 12 -3 25.8 -24.3 -7 3 -3 27.5 -28.0 6 4 -2 14.0 -13.6 4 12 -3 26.6 -27.5 -4 2 -3 23.7 -24.1 2 4 -2 12.6 13.8 3 11 -3 12.2 -11.9 -2 2 -3 26.7 -27.8 0 4 -2 31.8 33.9 1 11 -3 19.6 -18.6 0 2 -3 62.7 62.3 -2 4 -2 51.6 53.4 -1 11 -3 8.2 -7.5 2 2 -3 20.1 21.0 -6 4 -2 10.4 -10.1 -3 11 -3 8.4 7.8 4 2 -3 17.3 18.2 -3 5 -2 29.4 -30.0 -4 10 -3 9.6 -8.9 6 2 -3 7.1 6.2 -1 5 -2 62.3 -64.0 -2 10 -3 8.8 -8.1 8 2 -3 7.4 -8.3 1 5 -2 29.7 -31.7 0 10 -3 7.0 7.4 5 1 -3 18.5 -18.3 3 5 -2 15.9 -16.0 2 10 -3 14.9 15.1 3 1 -3 64.0 -65.7 5 5 -2 6.1 6.3 4 10 -3 9.5 9.3 1 1 -3 80.0 -81.4 7 5 -2 8.3 8.4 3 9 -3 8.0 -7.5 -1 1 -3 39.3 -39.2 6 6 -2 54.8 56.6 1 9 -3 20.9 -20.0 -5 1 -3 6.0 5.9 4 6 -2 46.7 46.5 -1 9 -3 25.9 -24.8 -8 0 -3 8.6 -8.8 0 6 -2 6.7 6.1 -3 9 -3 44.4 -42.6 -6 0 -3 9.8 10.3 -2 6 -2 17.7 16.9 -5 9 -3 37.9 -36.9 -4 0 -3 18.6 19.4 -4 6 -2 25.9 25.0 -4 8 -3 11.5 -10.7 -2 0 -3 42.6 -43.8 -6 6 -2 23.8 23.4 -2 8 -3 5.3 -5.1 0 0 -3 112.7 -112.4 -3 7 -2 12.8 -13.0 0 8 -3 6.5 6.6 2 0 -3 49.1 -48.9 -1 7 -2 33.2 -34.7 2 8 -3 25.5 25.8 4 0 -3 82.1 -83.3 1 7 -2 44.5 -46.2 4 8 -3 13.8 13.6 6 0 -3 34.3 -33.4 5 7 -2 10.0 10.3 5 7 -3 14.2 -14.3 -7 3 -2 7.9 -7.4 6 8 -2 9.3 -9.5 3 7 -3 24.7 -25.1 -5 3 -2 9.1 8.7 2 8 -2 10.2 10.4 1 7 -3 43.0 -43.6 -3 3 -2 32.0 33.6 0 8 -2 24.7 25.1 -1 7 -3 22.0 -22.1 -1 3 -2 48.3 48.8 -2 8 -2 22.3 22.3 -3 7 -3 11.2 11.5 1 3 -2 98.1 97.7 -6 8 -2 7.1 -6.6 -6 6 -3 14.8 14.6 3 3 -2 50.4 51.3 -3 9 -2 14.8 15.0 -4 6 -3 8.1 8.0 5 3 -2 29.5 -29.4 -1 9 -2 31.8 32.4 -2 6 -3 34.9 -35.0 6 2 -2 7.2 -7.3 1 9 -2 63.8 63.6 0 6 -3 31.2 -33.8 4 2 -2 22.4 -22.9 3 9 -2 18.3 18.4 2 6 -3 63.8 -66.0 2 2 -2 40.2 42.0 2 10 -2 8.5 8.6 4 6 -3 64.2 -63.6 0 2 -2 84.8 85.2 0 10 -2 20.8 20.8 6 6 -3 16.8 -17.2 -2 2 -2 5.2 4.7 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16.3 17.1 5 1 9 11.7 -12.4 1 9 10 14.4 14.5 -5 1 12 7.4 -7.8 3 1 9 15.5 -15.2 3 9 10 23.1 24.7 -3 1 12 13.8 -13.6 -1 1 9 7.8 6.5 2 10 10 7.6 7.7 -1 1 12 14.1 -13.1 -5 1 9 15.1 -15.6 -4 10 10 6.8 -6.2 3 1 12 10.4 10.5 -7 1 9 13.0 -13.0 1 11 10 7.9 -8.8 4 0 12 26.9 28.2 -6 0 9 37.9 -37.6 -2 10 11 7.3 7.3 2 0 12 51.1 50.6 -2 0 9 17.4 17.8 0 10 11 9.9 10.4 0 0 12 32.6 30.9 0 0 9 20.1 -19.2 1 9 11 12.9 13.4 -2 0 12 19.7 -19.0 4 0 9 14.3 -12.8 -3 9 11 14.6 -14.6 -6 0 12 21.8 24.0 6 0 9 28.5 -29.7 -2 8 11 11.0 11.1 0 4 12 18.8 19.3 -5 3 10 11.0 -10.6 0 8 11 14.7 16.0 -2 4 12 14.8 15.8 1 3 10 14.7 13.6 2 8 11 8.9 9.3 -4 4 12 13.3 14.3 3 3 10 42.5 42.0 3 7 11 6.4 -6.1 -6 4 12 8.0 7.9 5 3 10 23.4 25.1 1 7 11 11.2 -12.1 -5 5 12 7.8 -7.9 4 2 10 8.3 8.3 -1 7 11 7.2 -7.1 -3 5 12 7.7 -8.2 2 2 10 24.0 24.0 -3 7 11 8.8 -8.4 -1 5 12 10.3 -11.4 0 2 10 15.9 14.6 -2 6 11 13.3 -13.4 3 5 12 10.3 11.0 -2 2 10 15.3 -15.8 0 6 11 41.0 -42.4 2 6 12 39.2 40.6 -4 2 10 5.7 -6.1 2 6 11 23.5 -24.0 0 6 12 11.6 11.9 -5 1 10 7.2 7.2 1 5 11 12.5 -13.0 -2 6 12 7.3 -7.7 -3 1 10 7.2 6.9 -1 5 11 18.4 -19.0 -3 7 12 12.5 -12.9 -1 1 10 9.8 -8.9 -2 4 11 18.3 18.4 -1 7 12 6.1 -7.1 1 1 10 19.0 -17.7 0 4 11 27.7 28.0 0 8 12 9.6 9.9 3 1 10 18.2 -17.7 2 4 11 10.5 10.7 -2 8 12 12.0 11.7 5 1 10 8.5 -8.8 5 3 11 24.4 -25.6 -4 8 12 9.1 9.0 4 0 10 8.4 -7.6 3 3 11 11.5 -11.7 -3 9 12 29.8 30.8 0 0 10 43.3 41.9 1 3 11 19.8 18.9 -1 9 12 22.6 25.3 -2 0 10 64.9 63.7 -3 3 11 34.3 -33.5 -2 10 12 9.0 9.9 -4 0 10 35.6 36.4 -5 3 11 28.4 -27.6 -1 9 13 23.3 -26.0 -6 0 10 29.8 30.5 -7 3 11 15.2 -16.4 1 7 13 8.3 9.8 4 4 10 16.3 16.0 -6 2 11 8.4 -8.7 -4 6 13 23.7 -25.7 2 4 10 12.8 12.6 -4 2 11 10.7 11.0 -2 6 13 7.6 8.6 0 4 10 8.3 8.1 -2 2 11 17.6 17.4 0 6 13 17.3 18.0 -4 4 10 15.8 -15.7 0 2 11 21.0 19.4 -1 5 13 7.2 7.7 -5 5 10 9.3 8.6 2 2 11 26.0 25.7 -5 5 13 9.9 -10.6 -1 5 10 10.2 -10.0 3 1 11 5.3 -4.9 -4 4 13 13.0 14.0 1 5 10 10.7 -9.9 1 1 11 18.6 -17.3 0 4 13 6.1 -6.2 3 5 10 14.8 -14.9 -1 1 11 21.1 -19.8 3 3 13 9.2 -10.6 5 5 10 8.7 -8.7 -2 0 11 15.1 -13.7 1 3 13 36.0 -36.5 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -1 3 13 52.0 -51.3 -2 2 14 9.4 -9.4 1 3 15 7.6 -8.3 -3 3 13 12.4 -12.3 -4 2 14 8.8 -9.1 -1 3 15 7.6 -8.0 -5 3 13 13.5 13.8 1 1 14 8.8 -9.1 -3 3 15 9.6 -11.0 -6 2 13 8.8 9.2 3 1 14 11.3 -12.2 -4 2 15 5.9 -6.2 -4 2 13 7.3 7.7 2 0 14 7.6 7.9 0 2 15 13.6 14.4 -2 2 13 9.7 10.3 0 0 14 7.7 7.6 1 1 15 12.0 -12.8 0 2 13 9.2 -8.9 -2 0 14 35.9 36.9 -1 1 15 12.8 -13.5 1 1 13 7.8 7.7 -4 0 14 40.9 41.6 -2 0 15 12.4 -11.9 -3 1 13 7.7 -7.5 2 4 14 9.6 10.3 0 0 15 20.1 -21.9 -5 1 13 10.2 -11.0 -2 4 14 9.5 -9.8 2 0 15 14.8 -15.8 -6 0 13 24.0 -25.7 1 5 14 7.5 -7.6 -1 3 16 14.7 16.3 -4 0 13 24.5 -24.6 0 6 14 10.1 10.8 0 2 16 6.5 6.4 0 0 13 28.2 27.0 -2 6 14 25.8 28.9 -3 1 16 9.5 -10.6 4 0 13 13.9 -15.3 -4 6 14 23.0 26.4 -1 1 16 8.9 -9.7 -3 3 14 17.8 -18.4 -2 6 15 14.1 -15.5 -2 0 16 7.4 8.4 1 3 14 11.7 11.8 -1 5 15 10.2 -10.7 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 10. Tpt17-1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 1 3 -5 127.4 -127.5 -1 7 8 18.7 -20.0 -1 7 -7 8.3 -8.5 2 6 4 106.2 104.9 -1 7 12 8.4 -8.1 -1 7 -6 14.9 -14.5 -1 1 -1 40.6 -44.0 -1 9 -1 8.1 -8.5 -1 7 -3 26.1 -26.1 1 1 0 31.2 32.2 1 9 0 31.4 -31.6 -1 7 -2 36.2 -36.4 -1 1 2 67.5 -67.4 -1 9 1 48.5 -50.4 -1 5-14 11.4 -11.5 -1 1 3 80.8 -77.8 -1 9 2 70.4 71.1 -1 5-11 13.5 -14.2 -1 1 4 19.2 -19.9 -1 9 3 25.7 -26.5 -1 5-10 12.0 -12.5 -1 1 5 10.5 9.3 -1 9 4 8.4 9.1 -1 5 -7 29.4 -30.1 -1 1 6 9.7 -10.1 -1 9 5 82.5 -83.2 -1 5 -6 32.9 -33.8 -1 1 7 40.1 -40.5 -1 9 6 25.3 25.4 -1 5 -4 20.3 20.5 -1 1 8 16.8 -17.4 -1 9 7 24.1 25.5 -1 5 -3 16.2 -15.8 -1 1 10 11.1 -11.8 -1 9 9 40.1 -40.4 -1 5 -2 64.8 -65.2 -1 1 11 21.0 -21.5 -1 9 10 6.7 -6.7 -1 3-15 12.6 -12.0 -1 1 12 14.7 -14.2 -1 9 12 31.2 32.1 -1 3-14 17.3 16.1 -1 1 13 6.9 6.9 -1 9 13 36.4 -34.9 -1 3-13 41.5 -43.1 -1 1 15 17.5 -17.2 1 11 0 16.9 17.4 -1 3-11 19.7 20.1 -1 1 16 12.7 -12.4 -1 11 2 28.0 -27.9 -1 3-10 13.7 13.9 -1 3 -1 38.7 37.0 -1 11 3 24.3 -24.4 -1 3 -9 67.0 -67.4 1 3 0 49.7 -49.4 -1 11 5 17.3 17.6 -1 3 -8 16.4 -17.0 -1 3 1 117.9 -117.1 -1 11 7 19.5 -20.3 -1 3 -7 37.2 -38.4 -1 3 2 96.1 94.3 -1 11 8 11.7 -11.5 -1 3 -6 125.9 129.5 -1 3 3 110.2 -109.7 -1 13 -1 11.1 -11.7 -1 3 -4 39.6 -38.8 -1 3 4 45.7 47.5 1 13 0 9.9 9.7 -1 3 -3 85.3 -84.4 -1 3 6 51.5 53.2 -1 13 1 8.1 8.0 -1 3 -2 40.5 39.2 -1 3 7 23.5 23.4 -1 13 2 8.4 -8.5 -1 1-15 16.8 -16.2 -1 3 8 18.0 -19.4 -1 13 3 14.8 -14.3 -1 1-14 13.7 -12.6 -1 3 9 72.2 -74.0 -1 13 7 10.0 -10.1 -1 1-13 9.2 9.3 -1 3 12 49.5 49.0 -1 13 -7 11.3 -11.3 -1 1-11 18.2 -18.6 -1 3 13 61.3 -61.1 -1 13 -6 11.1 -11.2 -1 1-10 20.0 -20.8 -1 3 15 10.6 -10.2 -1 13 -4 11.9 11.6 -1 1 -7 30.0 -30.3 -1 3 16 20.4 19.6 -1 13 -2 18.2 -19.0 -1 1 -6 34.3 -33.9 -1 5 -1 41.9 -40.8 -1 11-10 12.4 -13.8 -1 1 -3 40.2 -41.4 1 5 0 14.8 15.2 -1 11 -6 10.0 -10.0 -1 1 -2 86.9 -84.4 -1 5 1 18.1 18.7 -1 11 -3 11.4 -11.3 0 14 4 7.4 -7.7 -1 5 2 31.8 -30.9 -1 11 -2 21.8 -20.7 0 14 2 9.0 10.0 -1 5 3 46.8 -46.6 -1 9-11 17.4 17.5 0 12 8 31.9 31.5 -1 5 4 16.1 -15.2 -1 9-10 19.0 18.4 0 12 7 28.2 -27.9 -1 5 6 12.3 -12.5 -1 9 -9 31.4 -32.8 0 12 5 19.0 19.1 -1 5 7 26.3 -26.6 -1 9 -8 13.4 -13.6 0 12 4 28.3 29.3 -1 5 9 8.0 8.1 -1 9 -7 31.3 -30.0 0 12 3 21.1 -21.8 -1 5 10 13.1 -13.3 -1 9 -6 63.6 65.3 0 12 1 19.7 -20.3 -1 5 11 22.2 -22.2 -1 9 -5 45.7 -46.6 0 12 0 69.7 70.9 -1 5 12 12.5 -12.8 -1 9 -4 7.9 -7.0 0 10 12 8.5 8.0 -1 5 13 10.0 10.0 -1 9 -3 29.7 -29.6 0 10 11 13.3 14.2 -1 5 15 14.1 -14.2 -1 9 -2 30.2 31.9 0 10 10 6.2 6.4 1 7 0 28.7 29.6 -1 7-13 13.1 13.3 0 10 9 10.7 -10.0 -1 7 2 49.0 -50.2 -1 7-11 14.0 -14.9 0 10 7 18.1 18.9 -1 7 3 47.7 -48.1 -1 7-10 20.2 -21.1 0 10 6 19.2 19.1 -1 7 5 24.5 24.9 -1 7 -9 7.7 -8.0 0 10 4 8.1 -8.5 -1 7 7 34.5 -35.0 -1 7 -8 8.2 7.9 0 10 3 8.1 8.5 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 0 10 2 23.6 23.8 0 2 0 34.1 -36.6 2 6 3 40.5 -41.9 0 10 0 6.4 -6.8 0 0 15 28.2 -27.7 2 6 2 21.5 22.0 0 8 12 12.2 13.2 0 0 13 33.3 32.7 2 6 1 86.2 -86.0 0 8 11 20.0 20.6 0 0 12 40.1 38.2 2 6 0 99.9 100.6 0 8 9 14.7 -15.6 0 0 11 47.7 -48.4 2 6 -1 64.2 65.1 0 8 8 8.9 -8.8 0 0 10 44.6 45.1 2 4 14 15.3 13.8 0 8 7 29.0 29.3 0 0 9 23.7 -26.2 2 4 11 12.9 12.6 0 8 6 31.3 31.1 0 0 8 74.0 74.4 2 4 10 15.4 14.2 0 8 4 15.2 -15.4 0 0 7 57.5 -57.6 2 4 7 19.1 19.0 0 8 2 26.0 25.9 0 0 6 39.6 39.9 2 4 6 40.4 39.7 0 8 1 14.5 14.8 0 0 5 102.4 102.2 2 4 5 8.1 8.1 0 6 14 12.5 12.5 0 0 4 53.6 54.2 2 4 4 21.8 -20.3 0 6 13 23.0 22.8 0 0 3 107.9 -106.2 2 4 2 54.8 55.5 0 6 12 16.8 15.8 0 0 1 58.1 -53.8 2 4 1 56.1 56.6 0 6 11 50.0 -49.4 1 3 5 102.4 -104.2 2 4 -1 27.5 -26.9 0 6 10 37.3 38.9 2 14 2 8.1 8.6 2 2 13 9.7 -8.9 0 6 8 66.6 68.0 2 14 1 13.1 13.0 2 2 11 32.0 30.7 0 6 7 56.9 -56.6 2 12 8 21.5 21.7 2 2 10 26.2 26.8 0 6 6 6.5 -7.6 2 12 6 11.0 -11.4 2 2 8 32.5 -32.2 0 6 5 38.1 38.0 2 12 5 14.0 -12.9 2 2 6 61.5 60.2 0 6 4 71.3 69.8 2 12 4 49.3 48.3 2 2 5 49.1 51.1 0 6 3 30.6 -31.3 2 12 3 16.3 -15.1 2 2 3 28.2 -28.4 0 6 2 11.6 13.7 2 12 2 10.7 10.4 2 2 1 40.5 39.7 0 6 1 53.1 -55.2 2 12 1 41.0 -40.5 2 2 0 46.8 45.0 0 6 0 155.1 157.9 2 12 0 39.3 39.2 2 2 -1 45.0 43.7 0 4 13 6.1 -6.0 2 12 -1 23.6 23.5 2 0 15 20.9 -19.8 0 4 12 24.2 23.4 2 10 10 10.7 10.1 2 0 12 61.7 61.9 0 4 11 31.9 32.0 2 10 8 11.1 -12.1 2 0 11 48.6 -48.9 0 4 10 8.8 8.5 2 10 6 26.8 26.0 2 0 8 74.0 74.2 0 4 9 26.0 -27.9 2 10 5 12.7 11.6 2 0 7 18.0 19.4 0 4 8 14.5 -14.4 2 10 4 9.7 -9.4 2 0 6 22.2 -22.9 0 4 7 44.6 46.7 2 10 3 9.6 -10.2 2 0 5 52.3 -53.1 0 4 6 59.1 61.4 2 10 2 14.6 15.2 2 0 4 128.4 128.2 0 4 5 18.0 18.7 2 10 1 21.0 20.3 2 0 3 45.7 -48.1 0 4 4 23.1 -23.4 2 8 11 10.9 11.8 2 0 2 112.1 109.9 0 4 3 14.1 -14.5 2 8 10 11.0 11.7 2 0 1 97.1 -94.7 0 4 2 30.0 31.3 2 8 8 11.5 -10.3 2 0 0 118.2 118.5 0 4 1 41.7 43.7 2 8 7 7.5 8.7 2 0 -1 51.0 50.0 0 4 0 44.9 45.1 2 8 6 27.3 27.5 2 0 -2 39.7 -37.1 0 2 15 18.2 18.5 2 8 5 11.5 11.0 2 0 -3 41.6 -40.0 0 2 13 9.8 -10.1 2 8 4 14.4 -12.7 2 0 -4 86.2 84.2 0 2 12 7.9 7.4 2 8 2 26.2 25.7 2 0 -5 40.5 39.3 0 2 11 21.8 21.4 2 8 1 29.2 30.4 2 0 -6 103.2 104.3 0 2 10 16.5 17.3 2 8 -1 11.4 -11.6 2 0 -7 127.2 -129.8 0 2 7 38.7 38.7 2 6 12 55.0 54.0 2 0 -8 36.6 38.0 0 2 6 22.9 23.4 2 6 11 26.8 -27.7 2 0 -9 15.7 17.0 0 2 5 8.3 -7.5 2 6 9 7.4 -6.8 2 0-10 66.3 67.6 0 2 3 62.3 59.8 2 6 8 38.5 38.7 2 0-11 13.3 -13.9 0 2 2 82.1 81.5 2 6 6 9.5 -9.1 2 0-12 21.0 -20.3 0 2 1 12.2 15.8 2 6 5 14.7 -14.8 2 0-14 43.5 42.9 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 2 0-15 16.9 -16.2 2 10 -6 7.4 7.2 3 7 3 10.7 11.9 2 0-16 13.0 11.7 2 10 -7 20.5 20.9 3 7 4 7.7 7.2 2 2 -2 44.7 43.5 2 10 -8 10.7 10.5 3 7 5 21.0 -19.9 2 2 -3 18.3 17.1 2 10 -9 13.3 -12.4 3 7 6 24.9 -25.0 2 2 -4 25.2 -24.3 2 10-11 9.7 9.7 3 7 8 9.4 8.7 2 2 -5 11.9 -13.3 2 10-12 14.5 14.7 3 7 10 14.9 -13.8 2 2 -6 35.2 36.4 2 12 -3 30.0 -30.2 3 7 11 8.5 -7.6 2 2 -7 65.2 64.8 2 12 -4 14.5 13.7 3 9 -1 78.4 -79.0 2 2 -8 25.6 27.3 2 12 -5 10.0 9.9 3 9 0 42.2 41.7 2 2 -9 29.6 -28.2 2 12 -6 39.2 37.0 3 9 2 15.8 15.0 2 2-10 16.7 -17.2 2 12 -7 42.9 -42.0 3 9 3 54.2 -53.3 2 2-11 19.1 19.2 2 12 -8 14.9 13.5 3 9 4 26.3 -26.1 2 2-12 33.9 33.4 2 14 -3 10.1 10.0 3 9 5 13.4 13.5 2 2-13 13.5 13.1 3 1 -1 24.5 24.1 3 9 6 47.8 46.5 2 2-14 10.6 -10.3 3 1 1 42.7 -44.2 3 9 7 38.5 -38.3 2 4 -2 15.2 13.8 3 1 2 39.2 -38.8 3 9 9 33.5 -32.5 2 4 -3 50.5 49.0 3 1 3 6.2 -6.2 3 9 10 33.0 32.6 2 4 -4 27.7 27.7 3 1 5 20.1 -19.4 3 11 -1 10.6 10.4 2 4 -6 5.9 5.8 3 1 6 24.1 -23.9 3 11 1 21.7 -20.2 2 4 -7 24.8 23.9 3 1 9 18.8 -18.9 3 11 2 8.9 -8.8 2 4 -8 16.5 16.5 3 1 10 21.8 -21.8 3 11 3 10.8 9.8 2 4 -9 8.4 -8.6 3 1 12 13.0 12.9 3 11 5 10.1 -10.9 2 4-11 23.3 21.5 3 1 14 17.5 -17.1 3 11 6 16.3 -16.3 2 4-12 17.1 18.1 3 3 -1 159.4 -159.9 3 13 -1 11.6 11.3 2 4-14 12.4 -12.2 3 3 0 55.7 55.8 3 13 0 7.2 6.7 2 4-15 9.4 8.8 3 3 1 13.2 -13.6 3 13 1 9.7 -10.1 2 6 -3 68.8 -66.9 3 3 2 31.8 32.1 3 13 2 10.5 -9.7 2 6 -4 25.2 23.6 3 3 3 74.2 -70.9 3 13 -6 11.5 11.1 2 6 -5 17.9 18.3 3 3 4 38.5 -38.5 3 13 -5 9.7 9.1 2 6 -6 85.6 87.2 3 3 6 59.9 57.4 3 13 -4 9.2 -8.5 2 6 -7 69.4 -71.4 3 3 7 68.2 -68.9 3 13 -3 21.5 -21.1 2 6 -8 31.1 31.4 3 3 9 40.0 -39.8 3 11 -8 11.5 -11.5 2 6-10 35.6 34.4 3 3 10 48.0 49.8 3 11 -7 11.6 -10.7 2 6-11 14.7 -15.4 3 3 11 16.7 -16.2 3 11 -4 9.3 -9.3 2 6-12 7.7 -7.4 3 3 12 23.8 -22.7 3 11 -3 15.5 -14.8 2 6-13 14.7 13.2 3 3 13 13.1 -12.7 3 9-12 44.0 41.9 2 6-14 37.1 36.4 3 5 -1 27.2 26.4 3 9-11 19.0 -18.2 2 6-15 24.4 -22.1 3 5 0 12.9 12.7 3 9 -9 49.5 -50.6 2 8 -2 12.0 11.5 3 5 1 31.4 -30.3 3 9 -8 30.8 29.4 2 8 -3 28.6 28.3 3 5 2 34.2 -33.6 3 9 -7 10.5 10.9 2 8 -4 6.8 7.4 3 5 3 9.6 -8.5 3 9 -6 10.3 -9.7 2 8 -5 6.7 -6.3 3 5 5 11.7 -11.5 3 9 -5 30.9 -33.5 2 8 -7 23.2 22.7 3 5 6 13.9 -14.4 3 9 -4 17.0 16.8 2 8 -8 11.5 11.3 3 5 9 18.0 -19.4 3 9 -3 14.2 -13.6 2 8 -9 11.0 -9.9 3 5 10 20.5 -19.4 3 9 -2 19.5 20.8 2 8-11 16.4 14.6 3 5 12 14.6 14.7 3 7-14 9.4 10.2 2 8-12 14.9 14.9 3 7 -1 12.1 11.2 3 7-12 16.5 -16.6 2 10 -2 11.9 10.5 3 7 0 10.0 -9.2 3 7-11 11.4 -10.9 2 10 -3 16.4 16.0 3 7 1 35.6 -34.8 3 7-10 8.6 8.0 2 10 -5 8.2 -8.0 3 7 2 15.0 -15.1 3 7 -8 20.0 -18.9 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 3 7 -7 20.2 -19.1 4 8 7 10.4 -9.7 4 0 1 67.5 -67.4 3 7 -4 14.7 -15.0 4 8 6 15.1 14.4 4 0 -1 64.8 65.3 3 7 -3 28.2 -27.6 4 8 5 26.0 25.5 4 0 -2 101.1 101.4 3 5-15 7.1 -7.0 4 8 3 13.3 -12.9 4 0 -3 85.6 -86.9 3 5-12 9.5 -8.8 4 8 1 20.3 21.1 4 0 -4 21.6 22.2 3 5 -9 10.0 -9.6 4 8 0 14.8 16.3 4 0 -5 40.3 -42.2 3 5 -8 34.9 -35.4 4 6 10 19.6 -17.4 4 0 -6 104.5 106.1 3 5 -7 16.6 -15.7 4 6 9 18.4 -18.8 4 0 -7 14.3 -15.2 3 5 -6 20.7 20.5 4 6 8 35.2 33.7 4 0 -8 8.6 -9.3 3 5 -5 19.9 18.9 4 6 7 13.8 13.6 4 0-10 40.6 39.1 3 5 -4 31.7 -31.1 4 6 6 31.9 30.6 4 0-13 27.2 -27.9 3 5 -3 60.0 -58.8 4 6 5 65.7 -66.6 4 0-14 54.2 54.1 3 5 -2 19.9 -18.2 4 6 4 48.0 47.5 4 2 -2 24.4 -24.5 3 3-15 12.3 -12.6 4 6 3 8.0 7.1 4 2 -3 16.9 17.6 3 3-14 22.9 -23.0 4 6 2 32.9 30.9 4 2 -4 38.2 38.8 3 3-13 14.6 -16.0 4 6 1 33.7 -32.5 4 2 -5 18.2 16.5 3 3-12 50.2 49.8 4 6 0 8.4 8.6 4 2 -8 17.2 16.3 3 3-11 40.8 -38.9 4 6 -1 30.8 31.2 4 2-11 14.5 15.0 3 3 -9 66.8 -68.2 4 4 12 8.1 -7.9 4 2-12 21.4 21.3 3 3 -8 57.9 56.9 4 4 11 8.0 7.1 4 2-13 7.9 8.8 3 3 -6 38.1 -38.3 4 4 10 19.1 20.9 4 2-14 11.9 -12.7 3 3 -5 73.6 -70.2 4 4 9 12.6 12.5 4 2-15 7.9 -7.9 3 3 -4 33.4 32.5 4 4 8 8.3 -10.0 4 4 -2 8.6 8.3 3 3 -3 13.9 -13.9 4 4 7 16.0 -16.0 4 4 -3 25.1 25.2 3 3 -2 54.9 55.2 4 4 6 18.0 18.6 4 4 -4 15.6 15.7 3 1-16 14.6 -14.2 4 4 5 35.3 36.2 4 4 -5 13.4 -13.4 3 1-13 8.2 -8.1 4 4 4 13.5 13.4 4 4 -7 24.9 22.7 3 1-12 14.5 -14.9 4 4 3 13.3 -13.4 4 4 -8 36.8 36.3 3 1-11 8.2 -8.6 4 4 1 23.8 23.0 4 4-10 19.5 -19.0 3 1 -9 7.1 -6.9 4 4 0 22.4 21.4 4 4-12 18.3 17.5 3 1 -8 37.4 -38.3 4 2 10 8.7 9.1 4 4-13 18.1 18.8 3 1 -7 23.4 -22.5 4 2 6 30.8 29.9 4 6 -2 53.7 51.1 3 1 -6 16.0 15.5 4 2 5 28.8 28.2 4 6 -3 72.5 -71.7 3 1 -5 15.1 14.5 4 2 4 11.5 -10.4 4 6 -4 28.4 27.6 3 1 -4 34.9 -36.1 4 2 3 26.1 -25.2 4 6 -5 8.8 -9.2 3 1 -3 67.1 -67.3 4 2 2 11.7 11.5 4 6 -6 86.3 84.0 3 1 -2 20.5 -20.1 4 2 1 57.7 58.3 4 6 -7 28.5 -26.5 4 12 4 27.8 27.2 4 2 0 37.3 36.9 4 6 -8 26.3 -25.8 4 12 2 10.0 10.1 4 2 -1 14.3 -16.2 4 6-10 39.8 41.4 4 12 1 21.6 -20.9 4 0 13 22.7 -22.2 4 6-11 7.5 6.8 4 12 -1 22.3 19.6 4 0 12 38.0 37.7 4 6-13 34.2 -32.9 4 10 6 11.5 11.5 4 0 11 13.1 13.2 4 6-14 36.8 35.1 4 10 5 13.6 15.0 4 0 10 8.0 -7.5 4 8 -3 15.6 15.3 4 10 3 12.3 -11.3 4 0 9 14.9 -16.1 4 8 -4 12.1 12.3 4 10 1 18.3 19.3 4 0 8 36.4 35.4 4 8 -7 13.9 13.6 4 10 0 11.9 12.1 4 0 6 32.3 32.9 4 8 -8 20.9 21.4 4 10 -1 8.2 -8.4 4 0 5 71.0 -72.8 4 8-10 13.0 -13.2 4 8 10 13.6 12.8 4 0 4 87.7 88.3 4 8-12 13.8 13.1 4 8 9 7.7 7.0 4 0 3 16.8 17.8 4 10 -3 12.2 11.9 4 8 8 8.3 -8.0 4 0 2 26.3 25.0 4 10 -4 13.9 14.8 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 4 10 -8 13.7 14.6 5 11 -1 9.3 11.1 6 10 0 13.6 14.3 4 10-10 7.4 -7.5 5 11 1 10.9 -11.6 6 8 5 14.2 14.5 4 12 -2 26.9 27.5 5 11 -7 7.5 6.7 6 8 2 9.8 -8.7 4 12 -3 40.2 -38.3 5 11 -6 10.3 12.4 6 8 1 10.4 10.8 4 12 -4 9.9 8.6 5 11 -4 19.4 -20.0 6 8 0 21.7 20.5 4 12 -5 10.4 -9.3 5 11 -3 11.6 -11.9 6 6 6 34.1 33.3 4 12 -6 42.8 43.3 5 9 -9 13.1 -13.5 6 6 5 28.7 -29.0 4 12 -7 11.9 -11.8 5 9 -8 41.1 42.6 6 6 3 21.0 19.2 5 1 -1 6.8 6.3 5 9 -7 37.6 -38.3 6 6 2 30.9 30.8 5 1 0 22.1 -21.0 5 9 -6 9.5 -10.3 6 6 1 24.2 -23.0 5 1 1 23.7 -24.4 5 9 -5 14.4 -13.8 6 6 -1 21.2 -21.2 5 1 4 12.3 -12.7 5 9 -4 30.5 31.5 6 4 5 21.1 21.4 5 1 5 24.6 -23.2 5 9 -2 24.2 -24.1 6 4 4 9.4 9.3 5 1 7 11.4 11.2 5 7 -9 18.4 -18.2 6 4 3 13.6 -13.9 5 1 9 15.7 -16.8 5 7 -8 15.1 -15.8 6 4 2 13.7 -12.7 5 1 10 11.3 -12.4 5 7 -7 8.0 7.3 6 4 1 17.7 16.6 5 3 -1 53.7 -52.2 5 7 -6 17.8 17.2 6 4 0 31.9 32.7 5 3 0 74.7 72.7 5 7 -4 32.4 -31.1 6 4 -1 8.1 7.7 5 3 1 29.3 -28.0 5 7 -3 18.5 -19.5 6 2 9 13.7 15.0 5 3 2 10.0 9.8 5 7 -2 12.2 12.5 6 2 7 9.8 -9.7 5 3 3 85.7 -85.2 5 5-13 14.0 -14.7 6 2 5 17.4 18.3 5 3 4 28.0 26.5 5 5-12 10.2 -10.5 6 2 4 18.0 18.5 5 3 5 24.0 25.2 5 5-10 11.7 11.1 6 2 2 9.0 -8.3 5 3 7 41.1 -41.9 5 5 -9 12.1 -12.3 6 2 1 7.6 7.3 5 3 8 6.7 -6.3 5 5 -8 22.5 -23.8 6 2 0 18.7 18.4 5 3 10 33.7 33.1 5 5 -6 9.7 10.1 6 0 9 42.5 -42.9 5 3 11 36.6 -36.3 5 5 -4 22.2 -22.3 6 0 8 19.9 19.5 5 5 0 20.4 -20.6 5 5 -3 13.0 -13.9 6 0 6 52.3 52.4 5 5 1 17.3 -16.4 5 3-13 16.9 17.9 6 0 5 30.8 -30.7 5 5 3 7.5 7.0 5 3-12 18.7 19.0 6 0 4 10.8 -10.3 5 5 4 13.6 -13.4 5 3-11 34.5 -33.8 6 0 3 9.7 9.8 5 5 5 23.1 -23.4 5 3-10 12.1 -13.7 6 0 2 33.3 35.2 5 5 7 12.3 12.9 5 3 -9 30.3 -30.2 6 0 1 18.1 -17.6 5 5 9 13.3 -13.3 5 3 -8 69.0 66.9 6 0 0 12.6 14.1 5 5 10 12.4 -12.7 5 3 -7 49.5 -47.7 6 0 -1 21.3 -21.9 5 7 -1 13.4 13.9 5 3 -6 8.0 -7.4 6 0 -2 80.4 81.4 5 7 0 9.5 -9.8 5 3 -5 33.1 -30.7 6 0 -3 43.0 -42.7 5 7 1 22.0 -21.5 5 3 -4 34.3 33.1 6 0 -5 14.8 -16.0 5 7 2 6.7 -6.4 5 3 -3 8.0 -8.9 6 0 -6 54.7 54.9 5 7 5 9.6 -10.3 5 3 -2 33.5 -31.5 6 0 -7 27.5 26.4 5 7 8 7.9 -8.3 5 1-13 13.1 -13.9 6 0 -8 14.1 -13.8 5 7 9 13.3 -13.7 5 1-12 9.0 -9.5 6 0 -9 47.6 -47.8 5 9 -1 40.9 -40.7 5 1-10 8.5 8.1 6 0-10 38.1 38.8 5 9 0 42.1 41.4 5 1 -9 18.2 -18.8 6 0-12 33.8 33.0 5 9 1 11.1 -10.5 5 1 -8 26.5 -26.0 6 0-13 33.2 -33.4 5 9 2 16.5 15.9 5 1 -6 14.5 15.1 6 2 -3 8.8 9.4 5 9 3 48.0 -49.4 5 1 -4 32.7 -33.4 6 2 -4 22.0 23.6 5 9 4 13.0 13.1 5 1 -3 21.0 -21.5 6 2 -6 13.4 -13.6 5 9 5 11.0 11.1 5 1 -2 8.6 8.7 6 2 -8 20.9 20.0 5 9 7 22.0 -22.2 6 10 2 8.7 -8.5 6 2 -9 20.5 22.6 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 6 2-11 12.3 -11.8 7 3 1 14.5 -15.1 7 1 -9 18.2 -18.1 6 2-13 10.9 12.5 7 3 2 9.3 -10.1 7 1 -7 10.5 9.8 6 4 -2 16.7 -17.0 7 3 3 40.6 -39.5 7 1 -5 15.8 -16.1 6 4 -3 7.5 -8.2 7 3 4 44.6 44.2 7 1 -4 17.5 -18.0 6 4 -4 18.7 18.3 7 3 5 14.5 -14.5 7 1 -2 9.6 9.6 6 4 -5 17.5 17.2 7 5 0 15.2 -16.4 8 4 0 9.3 8.8 6 4 -8 7.6 7.2 7 5 4 9.7 -10.0 8 4 -1 7.1 7.7 6 4 -9 8.6 7.8 7 7 -1 7.0 -7.3 8 2 2 14.2 -13.0 6 4-12 11.2 12.4 7 7 0 9.6 -9.2 8 2 0 15.8 16.2 6 6 -2 72.5 73.8 7 7 -4 8.5 -9.9 8 2 -1 17.1 18.4 6 6 -3 20.6 -21.2 7 5 -9 13.3 -14.4 8 0 3 12.1 -13.2 6 6 -5 23.6 -23.3 7 5 -7 11.2 11.3 8 0 2 45.4 45.4 6 6 -6 31.9 30.7 7 5 -5 18.0 -16.7 8 0 1 10.4 -10.0 6 6 -7 19.7 19.4 7 5 -4 15.6 -17.4 8 0 0 9.3 10.0 6 6 -9 28.3 -28.9 7 5 -2 12.0 11.9 8 0 -1 39.4 -40.2 6 6-10 32.7 32.4 7 3-11 22.0 -22.6 8 0 -2 29.0 29.3 6 8 -2 13.5 -13.1 7 3 -9 11.6 11.2 8 0 -3 19.5 19.7 6 8 -4 13.9 14.0 7 3 -8 13.1 13.5 8 0 -5 22.5 -22.3 6 8 -5 10.2 11.4 7 3 -7 50.7 -50.5 8 0 -6 9.5 10.9 6 8 -9 8.2 8.4 7 3 -6 15.4 16.4 8 0 -8 27.7 28.4 6 10 -4 9.1 10.5 7 3 -5 10.9 -10.7 8 2 -3 12.5 -13.1 7 1 -1 5.7 -6.5 7 3 -4 40.7 42.2 8 2 -5 12.0 13.0 7 1 0 15.9 -17.0 7 3 -3 43.4 -41.7 8 2 -6 7.3 7.3 7 1 4 14.4 -14.3 7 3 -2 23.2 -24.2 8 4 -4 9.0 9.2 7 1 6 8.0 8.0 7 1-11 6.6 7.4 8 4 -5 12.3 13.3 7 3 0 30.9 32.4 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 11. Tas22-1a H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 2 12 -1 19.1 16.4 4 8 0 13.2 12.1 -1 7 2 41.5 -42.2 0 12 -1 13.6 -13.4 1 7 0 26.9 27.6 -5 7 2 11.0 10.2 -2 12 -1 28.0 -26.4 2 6 0 84.4 85.0 -6 6 2 55.3 54.2 -3 11 -1 13.8 -12.7 0 6 0 150.2 151.8 -4 6 2 45.1 44.8 -2 10 -1 14.9 14.4 1 5 0 19.6 19.1 2 6 2 15.5 16.1 -4 10 -1 12.6 12.1 3 5 0 11.5 10.0 1 5 2 59.9 -61.3 1 9 -1 40.3 -40.6 5 5 0 19.9 -19.0 -1 5 2 28.5 -28.8 0 8 -1 9.6 8.1 6 4 0 24.3 22.9 -3 5 2 16.7 -15.3 -2 8 -1 25.0 24.3 4 4 0 18.8 18.2 -6 4 2 13.7 -14.3 -4 8 -1 18.4 17.9 0 4 0 31.3 30.1 -2 4 2 13.6 13.4 -5 7 -1 15.3 -14.9 1 3 0 60.0 -60.4 0 4 2 36.3 36.2 -3 7 -1 29.6 -29.0 3 3 0 48.2 47.6 2 4 2 48.7 51.2 2 6 -1 59.2 58.1 5 3 0 66.9 65.9 1 3 2 57.0 56.5 0 6 -1 44.2 -44.8 7 3 0 24.9 24.9 -1 3 2 95.8 93.6 -2 6 -1 78.2 -79.2 6 2 0 19.3 19.0 -3 3 2 48.4 48.0 -4 6 -1 34.8 -33.7 4 2 0 34.0 32.4 -5 3 2 34.5 -33.2 -6 6 -1 16.6 -15.1 2 2 0 30.7 32.0 -7 3 2 20.8 -21.2 -5 5 -1 13.3 -13.4 0 2 0 52.6 -49.0 -6 2 2 11.1 -12.0 -3 5 -1 28.3 -28.9 1 1 0 35.1 35.0 -4 2 2 20.4 -21.9 -1 5 -1 40.6 -40.2 5 1 0 20.2 -21.6 -2 2 2 38.7 40.0 1 5 -1 21.3 21.3 7 1 0 13.9 -13.7 0 2 2 91.8 88.9 2 4 -1 28.7 -29.7 2 0 0 119.5 122.4 2 2 2 10.6 10.0 0 4 -1 34.2 34.3 -5 9 1 28.3 -26.7 1 1 2 93.3 -91.4 -2 4 -1 54.9 54.7 -3 9 1 62.1 -62.2 -1 1 2 64.1 -66.0 -4 4 -1 25.7 26.1 -4 8 1 8.9 -8.8 -3 1 2 16.2 -19.2 -6 4 -1 11.8 9.6 -5 7 1 10.9 9.2 -8 0 2 24.0 22.0 -5 3 -1 16.3 -17.4 -3 7 1 12.0 11.9 -6 0 2 73.9 73.2 -1 3 -1 49.7 46.8 -4 6 1 33.8 31.8 -4 0 2 86.6 89.5 1 3 -1 125.6 -123.9 -6 6 1 18.5 -17.2 -2 0 2 43.6 -43.8 2 2 -1 27.5 28.9 -3 5 1 26.5 27.0 0 0 2 39.3 -33.0 -2 2 -1 40.9 43.0 -5 3 1 50.5 -49.0 2 0 2 92.9 90.7 -4 2 -1 50.7 50.7 -3 3 1 158.9 -160.8 -2 12 3 18.1 -18.5 -5 1 -1 20.3 -20.7 -4 2 1 20.5 -21.3 -4 12 3 21.9 -21.0 -3 1 -1 42.2 -44.8 -3 1 1 27.1 28.2 -1 11 3 14.9 -14.1 -1 1 -1 41.3 -41.6 -4 0 1 63.4 63.2 -2 10 3 13.9 14.4 1 1 -1 16.8 16.6 -6 0 1 20.4 -21.3 -1 9 3 14.7 -13.7 2 0 -1 56.2 57.2 -8 0 1 30.0 -30.8 1 9 3 19.1 -18.9 0 0 -1 43.1 -40.6 -4 12 2 15.4 15.2 0 8 3 9.2 8.8 -2 0 -1 102.8 -100.6 1 11 2 13.6 -13.7 -2 8 3 21.8 22.1 -4 0 -1 65.6 -64.8 -1 11 2 15.3 -16.2 -4 8 3 12.5 12.7 -6 0 -1 17.5 -18.0 0 10 2 17.4 17.6 -5 7 3 12.3 -12.3 2 8 -1 11.6 -11.8 2 10 2 15.2 14.1 -3 7 3 23.0 -22.6 2 10 -1 9.8 -9.0 1 9 2 30.6 29.6 -1 7 3 37.8 -39.1 2 12 0 25.3 23.2 -1 9 2 55.5 55.1 1 7 3 18.6 -18.5 0 12 0 45.3 43.1 -3 9 2 16.7 15.8 2 6 3 27.7 -30.1 1 11 0 10.8 11.8 -5 9 2 19.3 -17.9 0 6 3 35.7 -34.3 1 9 0 29.6 -29.6 -2 8 2 11.3 10.6 -2 6 3 59.5 -59.2 3 9 0 27.5 26.6 0 8 2 25.2 25.0 -4 6 3 58.1 -58.0 5 9 0 30.0 30.4 2 8 2 18.5 18.7 -6 6 3 18.0 -16.5 6 8 0 12.2 12.6 1 7 2 31.2 -31.7 -5 5 3 12.2 -10.4 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -3 5 3 49.4 -49.5 -2 2 4 18.2 -16.9 2 6 6 16.6 -18.3 -1 5 3 40.7 -42.1 1 1 4 13.2 15.2 1 5 6 29.3 -31.7 1 5 3 11.0 -11.3 -1 1 4 13.3 -12.2 -3 5 6 18.6 18.9 -2 4 3 47.9 47.6 -3 1 4 30.1 -31.9 -5 5 6 9.5 9.1 -4 4 3 25.1 23.9 -5 1 4 25.7 -26.7 -4 4 6 10.1 -10.1 -7 3 3 29.7 -28.9 -7 1 4 12.4 -12.2 0 4 6 49.1 50.0 -1 3 3 84.7 -85.6 -4 0 4 14.9 15.6 2 4 6 36.7 38.7 1 3 3 77.6 -76.4 -2 0 4 77.5 77.5 1 3 6 125.8 126.4 2 2 3 25.8 -27.6 0 0 4 64.6 65.2 -1 3 6 44.4 46.2 0 2 3 63.1 62.5 2 0 4 131.5 130.2 -3 3 6 38.7 -41.4 -2 2 3 24.3 24.7 -1 11 5 9.5 10.9 -2 2 6 23.5 24.6 -4 2 3 18.5 20.2 -3 9 5 26.1 -24.7 0 2 6 23.1 24.4 -5 1 3 17.5 -17.4 -1 9 5 59.7 -61.3 2 2 6 52.1 54.7 -3 1 3 61.3 -63.6 1 9 5 34.2 -36.4 1 1 6 33.0 -34.4 -1 1 3 79.4 -80.2 -1 7 5 21.7 22.3 -1 1 6 8.9 -9.7 1 1 3 35.3 -35.2 2 6 5 16.1 -17.0 -3 1 6 16.7 16.9 2 0 3 41.5 -43.1 0 6 5 40.0 39.3 -5 1 6 12.2 13.8 0 0 3 126.3 -117.9 -2 6 5 22.3 22.6 -6 0 6 39.9 38.4 -2 0 3 51.4 -52.1 -6 6 5 16.7 -15.7 -4 0 6 93.4 95.0 -4 0 3 80.9 -82.2 -3 5 5 18.0 18.0 -2 0 6 95.7 96.2 -6 0 3 30.2 -29.7 0 4 5 8.7 9.5 0 0 6 27.6 26.6 -8 0 3 16.3 15.5 -6 4 5 11.3 10.8 2 0 6 29.7 -31.1 0 12 4 16.0 18.2 -5 3 5 22.2 -20.6 -2 12 7 23.4 -24.7 2 12 4 30.3 29.6 -3 3 5 65.7 -65.8 -5 9 7 25.0 -22.9 -3 9 4 16.0 15.7 -1 3 5 124.3 -124.4 -1 9 7 18.7 20.2 -5 9 4 19.3 20.9 1 3 5 98.7 -99.2 1 9 7 16.7 -15.9 -4 8 4 13.2 12.8 2 2 5 38.0 38.7 0 8 7 19.3 20.8 0 8 4 11.5 -11.6 0 2 5 13.0 -14.3 -2 8 7 16.8 18.5 -3 7 4 11.5 -11.1 -2 2 5 16.2 -17.2 -3 7 7 15.7 -15.3 -5 7 4 18.3 -19.2 -4 2 5 10.8 10.9 -1 7 7 27.3 -28.8 -4 6 4 15.1 15.2 -3 1 5 16.5 18.3 0 6 7 49.0 -51.5 -2 6 4 22.3 21.9 -1 1 5 16.7 16.9 -2 6 7 64.0 -64.8 0 6 4 64.3 61.8 2 0 5 48.7 -47.9 -4 6 7 17.6 -18.5 2 6 4 89.8 91.5 0 0 5 107.3 107.8 -3 5 7 13.8 -15.7 1 5 4 22.7 24.5 -2 0 5 48.9 49.4 -1 5 7 25.1 -26.1 -1 5 4 10.5 -11.0 -4 0 5 27.7 -30.2 1 5 7 24.5 -25.7 -3 5 4 25.4 -24.8 -6 0 5 17.0 -17.6 2 4 7 13.1 13.8 -5 5 4 17.4 -17.1 -8 0 5 15.5 -16.5 0 4 7 38.7 39.5 -6 4 4 15.2 16.0 -4 12 6 22.0 22.8 -2 4 7 22.6 23.8 -4 4 4 20.6 19.4 -2 12 6 19.3 20.7 -4 4 7 14.5 13.6 -2 4 4 22.9 23.0 0 10 6 12.2 12.8 -7 3 7 36.2 -37.0 0 4 4 23.2 -24.3 1 9 6 48.9 49.5 -5 3 7 41.3 -40.2 2 4 4 21.8 -23.1 -1 9 6 16.4 16.9 -1 3 7 27.8 28.4 1 3 4 49.5 -49.0 -3 9 6 11.0 -12.7 1 3 7 25.4 -25.8 -1 3 4 41.1 41.8 0 8 6 18.9 19.6 0 2 7 38.3 38.9 -3 3 4 38.8 36.8 2 8 6 21.2 22.4 -2 2 7 52.2 55.0 -5 3 4 33.1 34.4 1 7 6 13.6 -13.5 -3 1 7 22.9 -23.5 -7 3 4 30.7 33.2 -6 6 6 20.5 21.9 -1 1 7 40.2 -41.5 -6 2 4 20.3 19.9 -4 6 6 64.4 64.7 1 1 7 27.3 -29.3 -4 2 4 33.4 35.1 -2 6 6 68.5 67.7 2 0 7 11.9 12.1 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 0 0 7 68.7 -66.9 -6 6 9 18.5 -20.5 0 2 11 18.3 18.4 -2 0 7 121.8 -122.6 0 4 9 21.8 -22.6 -2 2 11 13.8 14.4 -4 0 7 16.1 -16.7 -5 3 9 17.0 -16.3 -1 1 11 17.2 -17.2 -6 0 7 20.5 21.5 -3 3 9 50.4 -51.1 1 1 11 16.8 -15.9 0 12 8 16.9 17.6 -1 3 9 65.0 -63.8 2 0 11 40.9 -42.7 -3 9 8 20.9 22.6 1 3 9 59.0 -58.9 0 0 11 47.8 -45.8 -5 9 8 28.2 27.3 -2 2 9 19.7 -21.7 -2 0 11 12.9 -14.0 -4 8 8 12.5 13.8 -6 2 9 15.2 15.2 -1 9 12 20.1 20.6 -1 7 8 12.5 -12.9 -7 1 9 11.6 -12.0 -3 9 12 21.3 22.6 -3 7 8 15.0 -14.5 -5 1 9 14.0 -12.6 2 6 12 34.8 34.8 -5 7 8 13.0 -11.8 0 0 9 12.2 -13.2 -1 5 12 10.6 -10.6 -4 6 8 21.6 -20.3 -2 0 9 15.4 16.8 -2 4 12 14.6 13.9 -2 6 8 17.2 18.3 -6 0 9 33.4 -32.5 0 4 12 14.5 13.9 0 6 8 51.7 51.2 -6 6 10 19.6 19.6 -1 3 12 40.4 39.4 2 6 8 33.7 35.1 -4 6 10 30.5 28.7 -3 3 12 35.8 37.3 -3 5 8 27.7 -28.6 -2 6 10 31.7 30.8 -2 2 12 22.2 23.2 -5 5 8 18.5 -17.5 0 6 10 30.9 28.7 -1 1 12 13.4 -12.4 -4 4 8 25.6 26.6 -4 4 10 12.1 -11.8 -6 0 12 20.9 18.0 -2 4 8 13.5 15.4 2 4 10 10.7 11.6 -2 0 12 18.8 -18.4 0 4 8 11.7 -12.1 -5 3 10 11.2 -8.6 0 0 12 23.2 22.1 2 4 8 10.0 -11.4 -2 2 10 11.4 -13.1 2 0 12 47.4 47.8 1 3 8 16.8 -16.2 0 2 10 12.0 10.6 -1 9 13 19.6 -20.5 -1 3 8 12.6 -12.2 2 2 10 20.6 19.5 0 6 13 15.9 15.1 -3 3 8 51.0 52.4 1 1 10 16.1 -15.0 -4 6 13 21.0 -20.8 -5 3 8 52.0 52.2 -6 0 10 27.6 26.7 -5 3 13 13.6 11.6 -6 2 8 12.0 13.0 -4 0 10 37.0 35.9 -1 3 13 44.9 -43.0 -4 2 8 16.0 18.1 -2 0 10 57.3 58.2 1 3 13 34.2 -33.8 -2 2 8 23.6 23.0 0 0 10 40.7 40.4 -5 1 13 11.1 -10.5 2 2 8 25.7 -27.5 1 9 11 13.0 12.3 0 0 13 24.7 21.9 -1 1 8 13.3 -15.1 2 6 11 25.7 -26.8 -4 0 13 22.7 -23.9 -3 1 8 32.9 -34.4 0 6 11 39.4 -38.0 -6 0 13 22.9 -22.5 -5 1 8 21.6 -21.7 -1 5 11 17.1 -15.5 -4 6 14 21.0 20.9 -8 0 8 18.6 18.8 1 5 11 13.6 -12.3 -2 6 14 24.2 23.5 -4 0 8 16.6 -16.7 0 4 11 22.3 22.4 -3 3 14 16.8 -14.7 -2 0 8 24.3 25.7 -2 4 11 13.5 14.2 -4 0 14 32.5 32.0 0 0 8 65.5 65.5 -7 3 11 15.9 -15.1 -2 0 14 33.3 32.4 2 0 8 63.6 65.2 -5 3 11 26.1 -25.0 0 0 14 9.5 9.7 -3 9 9 28.0 -27.8 -3 3 11 30.4 -29.1 0 0 15 18.3 -17.9 -1 9 9 27.7 -26.7 1 3 11 21.4 20.2 -2 0 15 10.3 -10.0 1 9 9 22.1 -22.7 2 2 11 21.0 20.6 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 12. Tas22-1b H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 7 1 0 13.2 -13.8 -2 10 1 9.5 -9.7 -7 1 1 7.4 -7.0 5 1 0 19.9 -20.2 2 10 1 17.8 18.1 -8 0 1 26.7 -26.9 3 1 0 7.4 6.7 4 10 1 14.5 13.9 -6 0 1 18.3 -17.8 1 1 0 38.1 42.6 -1 9 1 46.8 -46.4 -4 0 1 60.7 60.5 8 2 0 9.2 9.2 -3 9 1 71.3 -69.7 -2 0 1 60.5 62.7 6 2 0 18.2 17.9 -5 9 1 30.5 -30.1 0 0 1 52.2 -48.6 4 2 0 32.8 33.5 -2 8 1 11.9 -11.2 2 0 1 99.2 -100.4 2 2 0 33.4 32.5 0 8 1 10.8 9.6 4 0 1 64.8 -62.5 0 2 0 45.1 -47.5 2 8 1 26.1 25.7 6 0 1 17.1 -17.4 7 3 0 24.0 24.6 4 8 1 21.2 19.8 0 14 2 7.3 7.5 5 3 0 64.3 62.2 5 7 1 15.2 -15.8 -1 13 2 9.0 -8.5 3 3 0 47.5 48.9 3 7 1 29.8 -29.8 1 13 2 11.2 -12.5 1 3 0 60.3 -61.6 -3 7 1 12.4 11.9 -4 12 2 18.4 19.3 8 4 0 7.4 7.0 -5 7 1 9.7 9.3 -1 11 2 19.6 -20.3 6 4 0 24.6 23.5 -7 7 1 6.2 -5.7 1 11 2 16.6 -16.5 4 4 0 18.7 18.9 -6 6 1 16.5 -16.3 2 10 2 14.8 15.2 0 4 0 30.6 28.6 -4 6 1 31.8 32.2 0 10 2 19.5 19.5 7 5 0 12.6 -12.2 -2 6 1 62.4 60.2 -2 10 2 7.8 8.2 5 5 0 17.9 -17.9 0 6 1 49.6 -49.4 -5 9 2 21.2 -20.7 3 5 0 11.0 11.9 2 6 1 81.2 -80.7 -3 9 2 19.3 18.0 1 5 0 20.5 18.6 4 6 1 33.3 -32.9 -1 9 2 64.2 62.5 2 6 0 92.9 90.3 6 6 1 15.8 -15.8 1 9 2 33.2 31.7 0 6 0 161.9 161.1 5 5 1 14.7 -14.0 3 9 2 13.9 15.5 5 7 0 11.6 -11.1 3 5 1 29.5 -28.8 5 9 2 10.2 9.9 3 7 0 8.1 -7.8 1 5 1 40.6 -40.6 2 8 2 21.2 21.1 1 7 0 30.0 29.1 -1 5 1 20.8 20.3 0 8 2 28.0 27.2 7 7 0 7.5 -7.9 -3 5 1 26.0 26.8 -2 8 2 11.9 12.0 6 8 0 12.6 13.2 -2 4 1 30.1 -29.4 -6 8 2 10.1 -10.1 4 8 0 12.8 12.9 0 4 1 35.4 35.1 -5 7 2 10.8 10.9 0 8 0 9.0 -8.0 2 4 1 55.5 55.1 -1 7 2 46.5 -46.2 5 9 0 32.4 31.8 4 4 1 26.3 25.6 1 7 2 34.0 -33.4 3 9 0 31.9 30.5 6 4 1 10.5 11.5 3 7 2 12.1 -12.0 1 9 0 33.7 -31.8 7 3 1 9.0 -9.4 6 6 2 23.2 23.9 6 10 0 9.5 9.8 5 3 1 16.2 -16.7 4 6 2 21.5 22.4 4 10 0 9.3 8.7 1 3 1 47.7 44.0 2 6 2 16.7 18.4 0 10 0 7.4 -7.4 -1 3 1 127.7 -127.9 -4 6 2 49.5 48.4 1 11 0 13.5 13.6 -3 3 1 163.7 -163.0 -6 6 2 58.2 56.7 2 12 0 30.0 29.2 -5 3 1 49.6 -48.4 -7 5 2 8.3 8.8 0 12 0 55.5 54.0 -8 2 1 10.9 10.9 -3 5 2 16.6 -16.1 1 13 0 7.8 7.6 -4 2 1 17.4 -18.0 -1 5 2 28.9 -28.9 2 14 1 8.7 8.8 -2 2 1 27.4 27.2 1 5 2 62.4 -62.1 3 13 1 8.6 -8.1 2 2 1 39.6 41.1 3 5 2 28.2 -28.7 1 13 1 7.3 -7.1 4 2 1 50.6 51.5 6 4 2 7.3 -8.9 -4 12 1 15.2 14.2 6 2 1 9.3 9.3 2 4 2 51.7 52.3 -2 12 1 20.6 20.1 5 1 1 19.4 -20.9 0 4 2 37.8 38.3 0 12 1 17.3 -16.7 3 1 1 43.8 -43.3 -2 4 2 13.5 12.8 2 12 1 31.4 -31.5 1 1 1 40.5 -44.2 -6 4 2 14.5 -14.2 4 12 1 13.6 -14.3 -1 1 1 18.1 18.7 -7 3 2 20.8 -20.9 3 11 1 13.9 -14.4 -3 1 1 26.4 26.6 -5 3 2 35.7 -33.2 -3 11 1 9.3 9.6 -5 1 1 6.2 5.7 -3 3 2 47.9 49.5 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -1 3 2 100.1 101.3 -4 6 3 64.9 -64.0 -3 9 4 18.0 16.8 1 3 2 57.2 57.0 -2 6 3 66.7 -62.7 -1 9 4 8.5 9.5 3 3 2 36.3 36.8 0 6 3 37.1 -36.4 1 9 4 9.8 -10.2 5 3 2 8.0 8.3 2 6 3 30.0 -32.5 3 9 4 21.4 -22.3 8 2 2 6.3 -7.2 4 6 3 11.5 11.5 5 9 4 7.6 8.5 4 2 2 9.0 9.9 6 6 3 15.4 15.0 2 8 4 10.2 -12.1 2 2 2 10.8 12.2 5 5 3 7.3 8.0 0 8 4 11.8 -12.8 0 2 2 88.8 89.5 1 5 3 12.9 -12.9 -4 8 4 15.1 14.0 -2 2 2 42.0 42.1 -1 5 3 43.2 -44.5 -6 8 4 12.5 11.7 -4 2 2 22.1 -22.6 -3 5 3 53.7 -54.6 -7 7 4 8.5 -8.2 -6 2 2 10.0 -10.8 -5 5 3 12.5 -12.7 -5 7 4 24.7 -23.5 -7 1 2 8.7 8.3 -4 4 3 25.3 25.2 -3 7 4 13.0 -13.0 -3 1 2 18.3 -18.5 -2 4 3 46.2 47.3 -1 7 4 6.7 7.8 -1 1 2 66.1 -69.7 0 4 3 6.5 -6.4 4 6 4 40.1 39.7 1 1 2 88.4 -90.1 2 4 3 5.9 -6.2 2 6 4 94.0 93.5 3 1 2 33.5 -34.4 4 4 3 12.2 -13.6 0 6 4 68.5 65.0 8 0 2 28.9 29.1 7 3 3 26.0 -25.7 -2 6 4 26.4 24.0 6 0 2 29.5 30.2 5 3 3 69.2 -69.3 -4 6 4 17.7 18.2 4 0 2 24.9 23.8 3 3 3 67.9 -65.1 -7 5 4 12.3 -12.4 2 0 2 88.4 89.7 1 3 3 79.1 -76.7 -5 5 4 19.3 -19.5 0 0 2 31.1 -36.1 -1 3 3 92.5 -91.6 -3 5 4 26.7 -27.4 -2 0 2 46.9 -43.9 -7 3 3 32.8 -32.0 -1 5 4 11.0 -11.0 -4 0 2 93.9 92.9 -8 2 3 9.1 -8.1 1 5 4 23.4 24.7 -6 0 2 73.2 72.5 -4 2 3 18.6 18.2 5 5 4 8.8 -9.1 -8 0 2 20.8 20.9 -2 2 3 24.8 26.2 2 4 4 21.8 -22.6 -5 1 2 9.6 9.7 0 2 3 60.2 59.5 0 4 4 24.5 -25.3 -1 13 3 8.8 -9.6 2 2 3 26.5 -26.1 -2 4 4 23.5 24.1 -3 13 3 10.6 -12.0 4 2 3 22.5 -24.1 -4 4 4 20.5 20.8 -4 12 3 25.6 -26.9 1 1 3 37.4 -36.6 -6 4 4 17.8 16.9 -2 12 3 22.7 -23.1 -1 1 3 84.1 -83.0 -7 3 4 34.7 34.4 0 12 3 13.8 -14.9 -3 1 3 67.3 -67.0 -5 3 4 37.4 35.3 -1 11 3 16.4 -17.3 -5 1 3 19.5 -18.9 -3 3 4 37.1 37.6 -3 11 3 11.9 -12.7 -8 0 3 16.1 15.4 -1 3 4 41.8 44.8 -4 10 3 10.9 10.9 -6 0 3 30.8 -30.6 1 3 4 51.6 -47.9 -2 10 3 17.3 16.9 -4 0 3 86.4 -84.1 3 3 4 40.7 -40.0 0 10 3 6.9 6.6 -2 0 3 57.6 -58.4 5 3 4 18.3 18.7 5 9 3 36.1 -35.8 0 0 3 120.6 -116.0 7 3 4 30.3 29.2 3 9 3 39.9 -39.2 2 0 3 40.7 -42.8 4 2 4 9.0 -9.2 1 9 3 22.7 -21.9 4 0 3 24.2 22.6 2 2 4 5.6 -5.2 -1 9 3 16.6 -18.0 6 0 3 13.0 13.6 -2 2 4 17.2 -18.3 -4 8 3 14.8 14.7 8 0 3 8.0 -8.3 -4 2 4 34.0 36.0 -2 8 3 25.0 24.1 4 12 4 16.3 17.4 -6 2 4 23.0 22.5 0 8 3 9.9 9.4 2 12 4 34.7 35.8 -7 1 4 14.7 -14.1 4 8 3 9.9 -10.9 0 12 4 20.6 22.5 -5 1 4 29.2 -29.7 3 7 3 11.1 11.7 -2 12 4 8.6 8.8 -3 1 4 31.9 -33.7 1 7 3 19.9 -21.2 -5 11 4 12.1 -11.7 -1 1 4 13.6 -11.5 -1 7 3 42.4 -43.2 0 10 4 8.0 -8.7 1 1 4 16.3 15.5 -3 7 3 25.6 -25.0 -4 10 4 10.9 11.2 5 1 4 9.8 -9.9 -5 7 3 13.3 -13.7 -6 10 4 8.5 8.6 7 1 4 10.5 -11.2 -6 6 3 17.8 -16.8 -5 9 4 24.7 24.6 6 0 4 8.5 -8.2 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 4 0 4 71.8 71.2 0 2 5 13.2 -13.3 -5 3 6 12.3 -12.0 2 0 4 126.9 126.0 2 2 5 38.7 39.5 -3 3 6 43.8 -42.4 0 0 4 64.8 66.9 4 2 5 24.2 24.3 -1 3 6 49.5 49.2 -2 0 4 80.8 78.8 6 2 5 11.0 12.8 1 3 6 122.7 122.7 -4 0 4 17.2 19.2 5 1 5 18.4 -20.6 3 3 6 53.5 51.2 -6 0 4 7.4 -8.3 3 1 5 18.0 -19.3 4 2 6 21.3 23.2 0 12 5 14.5 15.2 -1 1 5 16.7 15.8 2 2 6 51.1 52.1 3 11 5 7.4 -7.8 -3 1 5 17.6 18.9 0 2 6 22.9 23.3 -1 11 5 12.2 12.9 -7 1 5 12.5 -12.7 -2 2 6 24.9 27.1 5 9 5 8.4 10.0 -8 0 5 16.6 -17.6 -6 2 6 10.7 -10.9 3 9 5 10.3 9.9 -6 0 5 16.2 -17.4 -5 1 6 14.1 15.1 1 9 5 39.9 -40.2 -4 0 5 30.9 -33.5 -3 1 6 17.2 17.8 -1 9 5 71.5 -70.9 -2 0 5 51.7 48.8 -1 1 6 8.6 -9.3 -3 9 5 28.6 -29.2 0 0 5 106.9 103.9 1 1 6 33.6 -33.5 -5 9 5 10.5 -9.7 2 0 5 47.6 -48.1 3 1 6 21.8 -22.0 -6 8 5 7.7 7.3 4 0 5 66.4 -65.8 6 0 6 30.8 30.8 -2 8 5 7.7 -8.6 6 0 5 25.7 -25.0 4 0 6 19.9 19.5 4 8 5 15.3 16.7 2 12 6 10.7 -10.4 2 0 6 29.8 -27.7 5 7 5 8.1 -10.5 -2 12 6 27.5 27.4 0 0 6 27.8 27.7 3 7 5 14.3 -17.1 -4 12 6 30.5 30.3 -2 0 6 103.3 103.0 -1 7 5 24.1 24.8 1 11 6 7.9 -10.2 -4 0 6 100.8 100.7 -3 7 5 6.3 6.9 2 10 6 17.7 17.7 -6 0 6 43.9 44.2 -6 6 5 18.1 -16.6 0 10 6 15.7 15.4 -8 0 6 9.6 8.9 -2 6 5 22.8 21.8 -3 9 6 14.2 -13.9 -2 12 7 31.6 -31.3 0 6 5 40.4 40.8 -1 9 6 18.5 19.2 0 12 7 19.7 -21.6 2 6 5 15.5 -16.5 1 9 6 52.2 53.2 -1 11 7 13.0 -15.1 4 6 5 50.0 -52.2 3 9 6 32.8 33.1 -3 11 7 8.4 -8.6 6 6 5 20.5 -21.1 4 8 6 9.5 10.4 -2 10 7 12.9 14.8 5 5 5 18.5 -18.8 2 8 6 22.0 22.8 0 10 7 13.0 15.3 3 5 5 10.8 -11.6 0 8 6 22.0 22.0 5 9 7 12.3 -14.3 1 5 5 6.8 6.0 -5 7 6 12.4 13.0 3 9 7 24.8 -25.6 -3 5 5 17.9 19.4 1 7 6 13.6 -14.9 1 9 7 18.8 -18.3 -7 5 5 12.4 -11.3 3 7 6 19.9 -19.9 -1 9 7 22.5 22.6 -8 4 5 10.8 10.6 6 6 6 20.3 20.2 -5 9 7 30.8 -28.9 -6 4 5 13.9 13.0 4 6 6 17.0 17.0 -4 8 7 8.1 7.6 -4 4 5 8.2 -9.0 2 6 6 15.6 -15.6 -2 8 7 20.2 21.2 0 4 5 9.6 9.2 0 6 6 8.1 -8.4 0 8 7 22.9 23.5 2 4 5 7.5 7.3 -2 6 6 74.2 75.3 1 7 7 9.6 -8.2 4 4 5 26.4 26.4 -4 6 6 74.5 74.2 -1 7 7 31.4 -30.8 6 4 5 12.4 13.8 -6 6 6 26.5 26.0 -3 7 7 17.1 -17.0 5 3 5 20.9 21.0 -5 5 6 9.5 10.4 -6 6 7 17.0 16.7 3 3 5 8.7 7.7 -3 5 6 18.7 20.2 -4 6 7 20.4 -20.4 1 3 5 99.2 -99.4 -1 5 6 10.8 -11.2 -2 6 7 69.5 -70.4 -1 3 5 131.7 -128.5 1 5 6 31.8 -31.9 0 6 7 52.9 -53.2 -3 3 5 70.9 -68.0 3 5 6 12.7 -14.0 4 6 7 9.1 9.4 -5 3 5 25.9 -24.4 4 4 6 12.8 14.5 5 5 7 7.3 9.2 -8 2 5 11.1 10.4 2 4 6 35.1 36.2 1 5 7 26.5 -27.0 -6 2 5 9.1 9.5 0 4 6 49.7 51.9 -1 5 7 26.2 -26.1 -4 2 5 11.7 11.7 -4 4 6 9.8 -10.2 -3 5 7 15.0 -15.7 -2 2 5 20.0 -19.5 -7 3 6 12.0 10.5 -4 4 7 14.6 15.0 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -2 4 7 24.1 24.3 -7 3 8 9.9 10.2 -5 1 9 14.4 -15.8 0 4 7 40.8 41.5 -5 3 8 58.4 59.4 -7 1 9 13.5 -14.3 2 4 7 14.8 14.9 -3 3 8 56.2 56.3 -6 0 9 38.5 -39.0 4 4 7 8.8 -10.3 -1 3 8 11.8 -13.2 -2 0 9 17.5 15.8 5 3 7 28.6 -29.6 1 3 8 17.7 -14.8 0 0 9 12.5 -13.4 3 3 7 52.0 -51.2 2 2 8 24.5 -25.4 4 0 9 11.4 -11.7 1 3 7 25.3 -25.2 -2 2 8 24.7 26.3 6 0 9 23.1 -24.1 -1 3 7 30.3 28.4 -4 2 8 16.7 18.1 1 9 10 12.2 11.6 -3 3 7 8.6 8.4 -6 2 8 13.8 13.9 3 9 10 20.9 21.5 -5 3 7 44.1 -44.5 -5 1 8 22.0 -24.2 1 7 10 13.2 -14.2 -7 3 7 43.3 -41.4 -3 1 8 37.1 -36.7 4 6 10 11.6 -12.4 -2 2 7 57.6 57.2 -1 1 8 15.1 -15.4 0 6 10 32.2 30.3 0 2 7 37.0 36.7 1 1 8 6.3 6.4 -2 6 10 32.9 33.5 5 1 7 7.8 9.4 6 0 8 12.3 12.8 -4 6 10 33.3 33.2 1 1 7 28.2 -28.6 4 0 8 33.3 31.4 -6 6 10 24.4 24.9 -1 1 7 39.9 -40.3 2 0 8 64.1 63.4 -5 5 10 9.5 9.2 -3 1 7 21.4 -22.7 0 0 8 66.6 64.7 -1 5 10 6.7 -6.8 -7 1 7 8.4 8.6 -2 0 8 25.4 26.7 1 5 10 8.1 -8.6 -6 0 7 24.8 24.6 -4 0 8 17.9 -17.5 3 5 10 11.8 -13.9 -4 0 7 16.7 -18.1 -6 0 8 10.9 -10.8 4 4 10 12.2 12.6 -2 0 7 127.8 -128.3 -8 0 8 22.5 21.2 2 4 10 12.0 11.8 0 0 7 65.2 -62.5 3 9 9 17.8 -18.9 0 4 10 6.7 5.8 2 0 7 13.5 12.3 1 9 9 24.4 -25.0 -4 4 10 13.0 -14.3 2 12 8 12.4 14.0 -1 9 9 30.0 -30.4 -5 3 10 11.8 -10.9 0 12 8 21.4 21.6 -3 9 9 35.4 -35.0 1 3 10 13.2 12.2 -2 12 8 7.8 8.1 -6 8 9 8.6 8.6 3 3 10 36.8 37.1 -3 11 8 8.9 -10.1 -2 8 9 8.9 -9.1 5 3 10 18.9 20.2 -2 10 8 7.9 8.3 0 8 9 11.3 -10.9 2 2 10 19.3 19.8 -4 10 8 12.3 12.3 -5 7 9 12.3 -12.3 0 2 10 12.1 11.8 -5 9 8 35.7 33.4 -6 6 9 25.5 -25.2 -2 2 10 15.7 -15.9 -3 9 8 26.3 27.0 4 6 9 10.2 -11.1 -3 1 10 8.3 9.6 1 9 8 9.8 -9.4 5 5 9 8.0 -8.2 -1 1 10 5.5 -5.7 2 8 8 7.5 -9.2 3 5 9 10.9 -10.6 1 1 10 15.5 -15.5 -2 8 8 11.4 10.3 -1 5 9 9.1 10.5 3 1 10 15.8 -16.7 -4 8 8 14.6 16.1 -5 5 9 9.8 -10.3 5 1 10 7.4 -8.4 -6 8 8 6.9 6.6 -7 5 9 11.3 -11.2 4 0 10 8.5 -10.5 -5 7 8 12.9 -14.0 -6 4 9 9.7 10.5 2 0 10 7.0 -6.1 -3 7 8 17.8 -17.9 -2 4 9 9.6 -10.0 0 0 10 38.9 38.2 -1 7 8 15.1 -15.6 0 4 9 21.9 -23.6 -2 0 10 63.4 61.8 4 6 8 24.3 25.0 3 3 9 29.4 -28.2 -4 0 10 37.8 39.6 2 6 8 34.7 34.8 1 3 9 59.6 -58.2 -6 0 10 30.0 31.1 0 6 8 52.6 53.2 -1 3 9 67.5 -65.6 0 10 11 9.7 10.2 -2 6 8 22.1 21.9 -3 3 9 56.1 -56.6 1 9 11 13.9 13.2 -4 6 8 23.4 -23.7 -5 3 9 20.3 -19.9 -3 9 11 15.1 -15.2 -5 5 8 19.2 -20.9 -7 3 9 12.1 12.4 -2 8 11 9.3 9.8 -3 5 8 30.2 -31.4 -6 2 9 16.6 18.1 0 8 11 12.9 13.4 0 4 8 9.9 -10.6 -2 2 9 21.7 -23.3 1 7 11 11.7 -11.7 -2 4 8 14.9 15.7 5 1 9 8.8 -10.8 -2 6 11 12.9 -12.9 -4 4 8 27.6 29.7 3 1 9 12.1 -11.5 0 6 11 40.4 -39.2 -6 4 8 8.0 8.3 -1 1 9 7.8 9.5 2 6 11 25.2 -23.5 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 1 5 11 11.9 -12.7 0 4 12 15.3 14.4 -5 1 13 10.5 -11.9 -1 5 11 16.9 -18.0 -2 4 12 15.2 15.5 -6 0 13 26.8 -27.4 -2 4 11 15.6 16.7 -4 4 12 11.9 12.7 -4 0 13 27.7 -27.7 0 4 11 23.2 23.5 -5 3 12 13.4 13.6 0 0 13 24.9 23.9 2 4 11 9.7 9.9 -3 3 12 40.7 42.3 4 0 13 8.8 -8.9 5 3 11 19.1 -20.5 -1 3 12 40.4 40.4 0 6 14 9.2 9.5 3 3 11 7.5 -8.7 3 3 12 16.3 -15.6 -2 6 14 27.6 26.7 1 3 11 19.7 19.2 -2 2 12 23.5 24.6 -4 6 14 26.3 25.6 -1 3 11 7.1 6.2 -4 2 12 15.7 16.7 -2 4 14 8.7 -10.0 -3 3 11 32.4 -32.5 -3 1 12 12.5 -14.4 -3 3 14 17.6 -17.7 -5 3 11 29.2 -29.4 -1 1 12 12.7 -12.9 1 3 14 8.4 8.9 -7 3 11 17.6 -18.6 3 1 12 8.1 8.7 3 3 14 10.1 9.4 -6 2 11 8.1 -8.1 4 0 12 22.5 23.1 -2 2 14 10.8 -9.0 -4 2 11 7.6 7.9 2 0 12 41.8 40.7 -4 2 14 7.7 -8.2 -2 2 11 13.9 14.9 0 0 12 23.6 22.3 3 1 14 8.9 -8.5 0 2 11 18.1 18.2 -2 0 12 20.8 -21.0 2 0 14 6.8 5.5 2 2 11 20.6 19.9 -6 0 12 22.9 23.1 0 0 14 9.0 9.5 1 1 11 16.6 -16.4 -1 9 13 23.9 -23.2 -2 0 14 34.5 33.6 -1 1 11 17.7 -18.8 -4 6 13 24.7 -25.1 -4 0 14 37.8 38.2 -2 0 11 12.9 -13.1 0 6 13 17.4 16.2 -2 6 15 13.4 -10.7 0 0 11 44.6 -45.0 -5 5 13 10.6 -11.2 0 6 15 10.1 -9.6 2 0 11 39.8 -38.0 -4 4 13 11.3 12.3 -3 3 15 10.5 -10.4 -3 9 12 28.4 28.6 3 3 13 9.2 -9.2 0 2 15 11.5 11.3 -1 9 12 24.4 22.9 1 3 13 31.8 -30.8 1 1 15 11.0 -9.7 -2 8 12 11.4 11.7 -1 3 13 46.2 -44.3 -1 1 15 9.8 -9.4 -4 8 12 7.7 8.4 -3 3 13 10.0 -9.8 -2 0 15 9.6 -9.7 -3 7 12 12.2 -13.2 -5 3 13 14.5 15.4 0 0 15 17.9 -17.2 -1 7 12 7.5 -7.6 -6 2 13 9.4 9.5 2 0 15 13.6 -14.0 2 6 12 32.0 32.1 -4 2 13 7.7 8.9 -2 4 16 9.8 9.7 0 6 12 10.1 8.8 -2 2 13 7.9 7.5 -3 3 16 10.9 10.9 -2 6 12 12.5 -12.3 2 2 13 7.4 -6.9 -1 3 16 16.7 15.5 -5 5 12 7.9 -8.0 1 1 13 8.6 8.3 -3 1 16 9.0 -9.2 -1 5 12 11.3 -11.4 -3 1 13 7.0 -7.1 -1 1 16 8.7 -8.6 TABLE 8. Observed (FO) and calculated (FC) structure factors for sample 13. Tpq16-6B H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 0 12 0 64.1 66.0 4 10 1 15.4 16.2 -2 0 1 59.6 57.9 1 11 0 14.7 14.8 3 9 1 7.4 6.4 0 0 1 54.5 -55.6 6 10 0 9.2 10.4 1 9 1 6.8 -6.9 2 0 1 103.2 -103.9 4 10 0 7.2 8.9 -1 9 1 54.5 -54.3 4 0 1 64.1 -64.9 0 10 0 9.1 -8.7 -3 9 1 78.8 -77.0 6 0 1 16.7 -16.9 5 9 0 33.4 34.3 -2 8 1 11.9 -12.7 8 0 1 6.3 -5.8 3 9 0 33.1 34.0 0 8 1 10.8 10.7 -5 1 1 7.1 6.4 1 9 0 34.4 -33.3 2 8 1 29.0 28.2 0 14 2 9.8 10.1 6 8 0 13.3 13.4 4 8 1 20.8 20.8 -1 13 2 9.7 -9.8 4 8 0 12.7 13.1 6 8 1 7.6 7.1 1 13 2 15.4 -16.5 0 8 0 8.1 -8.1 5 7 1 17.7 -16.3 4 12 2 8.5 9.9 7 7 0 7.4 -8.0 3 7 1 33.6 -32.2 -1 11 2 22.0 -23.5 5 7 0 11.1 -10.7 -3 7 1 13.6 13.1 1 11 2 19.4 -19.9 3 7 0 7.3 -7.5 -5 7 1 9.6 9.7 3 11 2 8.0 -8.1 1 7 0 30.6 30.8 -4 6 1 33.4 30.8 2 10 2 16.9 17.5 4 6 0 7.0 5.8 -2 6 1 62.2 62.1 0 10 2 23.2 23.3 2 6 0 98.9 98.2 0 6 1 54.9 -53.4 -2 10 2 8.8 9.3 0 6 0 171.3 170.6 2 6 1 88.3 -87.7 -3 9 2 18.4 20.5 7 5 0 11.7 -11.1 4 6 1 36.0 -35.9 -1 9 2 72.9 70.8 5 5 0 18.5 -17.4 6 6 1 17.3 -16.4 1 9 2 40.6 38.6 3 5 0 11.2 11.4 5 5 1 15.1 -14.5 3 9 2 18.4 18.6 1 5 0 19.7 20.7 3 5 1 31.6 -30.3 5 9 2 11.0 11.3 8 4 0 6.5 6.4 1 5 1 41.6 -42.5 2 8 2 24.8 24.1 6 4 0 24.1 22.4 -1 5 1 21.7 21.7 0 8 2 30.5 30.2 4 4 0 19.5 19.0 -3 5 1 27.8 27.5 -2 8 2 12.6 12.7 0 4 0 32.5 31.1 -2 4 1 30.8 -31.0 -6 8 2 9.1 -9.2 7 3 0 24.2 23.0 0 4 1 38.5 37.7 -1 7 2 50.2 -49.2 5 3 0 64.8 62.1 2 4 1 58.3 56.9 1 7 2 38.0 -37.1 3 3 0 52.5 50.8 4 4 1 26.9 25.7 3 7 2 14.6 -13.7 1 3 0 59.3 -58.3 6 4 1 11.4 11.0 6 6 2 25.2 23.9 8 2 0 8.9 8.4 7 3 1 9.9 -10.0 4 6 2 26.9 25.0 6 2 0 16.7 16.9 5 3 1 18.4 -17.4 2 6 2 19.3 18.7 4 2 0 33.3 32.4 1 3 1 43.7 41.7 -4 6 2 52.6 50.7 2 2 0 35.5 34.7 -1 3 1 132.9 -130.2 -6 6 2 58.1 55.4 0 2 0 45.7 -45.1 -3 3 1 164.8 -163.1 -3 5 2 15.3 -15.6 7 1 0 12.1 -12.3 -5 3 1 50.6 -48.0 -1 5 2 32.0 -31.5 5 1 0 18.8 -19.0 -4 2 1 17.9 -18.0 1 5 2 66.6 -65.4 3 1 0 6.6 6.7 -2 2 1 29.4 29.1 3 5 2 30.7 -29.3 1 1 0 41.0 40.0 0 2 1 8.9 9.5 6 4 2 8.8 -8.7 2 0 0 128.9 127.8 2 2 1 40.9 42.1 2 4 2 54.1 54.0 8 0 0 7.0 5.9 4 2 1 49.0 50.5 0 4 2 37.9 39.2 3 13 1 8.7 -10.2 6 2 1 8.1 8.3 -2 4 2 13.5 14.2 -3 13 1 7.5 8.7 5 1 1 19.4 -20.4 -6 4 2 13.9 -12.8 2 12 1 37.0 -38.3 3 1 1 44.5 -44.1 -5 3 2 30.6 -29.8 4 12 1 17.0 -18.4 1 1 1 43.0 -43.3 -3 3 2 53.3 51.1 5 11 1 8.0 -8.5 -1 1 1 18.8 17.3 -1 3 2 108.1 105.6 3 11 1 16.0 -16.9 -3 1 1 28.1 28.3 1 3 2 61.3 60.5 -3 11 1 9.0 10.0 -8 0 1 25.6 -23.9 3 3 2 38.3 38.2 -2 10 1 9.5 -9.5 -6 0 1 18.0 -17.9 5 3 2 9.8 8.9 2 10 1 19.1 19.9 -4 0 1 60.3 58.7 7 3 2 7.5 -7.2 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 4 2 2 9.9 9.3 -3 7 3 27.5 -26.6 -2 12 4 11.7 12.7 2 2 2 10.5 10.7 -5 7 3 14.0 -13.4 -5 11 4 11.9 -13.4 0 2 2 87.1 88.0 -6 6 3 18.9 -17.2 -3 11 4 8.0 -8.2 -2 2 2 41.1 42.9 -4 6 3 67.1 -65.6 2 10 4 10.1 -10.1 -4 2 2 22.4 -22.0 -2 6 3 71.0 -70.2 0 10 4 9.0 -9.7 -6 2 2 9.9 -9.1 0 6 3 40.6 -40.4 -4 10 4 11.9 12.7 -5 1 2 9.7 9.8 2 6 3 35.5 -34.4 -6 10 4 8.6 8.8 -3 1 2 17.7 -17.6 4 6 3 10.7 9.7 -5 9 4 27.6 26.5 -1 1 2 64.8 -67.8 6 6 3 12.9 13.0 -3 9 4 20.9 20.1 1 1 2 86.1 -88.6 5 5 3 7.2 7.3 -1 9 4 10.6 10.9 3 1 2 34.7 -34.8 1 5 3 14.8 -14.0 1 9 4 10.7 -9.9 8 0 2 23.7 25.5 -1 5 3 47.1 -47.1 3 9 4 21.7 -22.2 6 0 2 27.6 28.9 -3 5 3 56.5 -55.3 5 9 4 9.7 10.0 4 0 2 24.4 24.7 -5 5 3 13.2 -11.7 2 8 4 13.1 -12.8 2 0 2 92.6 92.2 -4 4 3 25.8 24.5 0 8 4 14.5 -14.5 0 0 2 23.3 -22.1 -2 4 3 49.7 49.4 -2 8 4 5.8 5.7 -2 0 2 40.0 -40.6 0 4 3 6.7 -7.6 -4 8 4 15.0 14.6 -4 0 2 92.6 92.5 4 4 3 13.4 -13.9 -6 8 4 12.7 11.3 -6 0 2 68.2 67.3 6 4 3 8.5 -8.3 -7 7 4 7.9 -7.2 -7 1 2 7.1 7.0 7 3 3 23.5 -24.6 -5 7 4 24.2 -23.6 -7 3 2 19.8 -17.1 5 3 3 68.7 -68.3 -3 7 4 14.5 -14.5 -7 5 2 7.5 7.4 3 3 3 70.2 -69.5 -1 7 4 7.5 8.1 -5 5 2 6.9 6.9 1 3 3 80.9 -81.4 3 7 4 7.8 7.2 -5 7 2 10.1 10.2 -1 3 3 93.5 -94.8 4 6 4 43.0 41.9 -2 14 3 8.6 10.9 -5 3 3 6.6 -5.8 2 6 4 101.8 99.8 -1 13 3 10.8 -12.6 -7 3 3 31.9 -29.3 0 6 4 74.2 73.2 -3 13 3 12.2 -14.6 -8 2 3 6.5 -6.7 -2 6 4 27.7 26.7 -4 12 3 29.1 -31.2 -4 2 3 17.8 18.3 -4 6 4 19.8 19.0 -2 12 3 27.3 -29.0 -2 2 3 24.4 24.7 -7 5 4 11.3 -11.0 0 12 3 18.5 -19.8 0 2 3 58.7 60.1 -5 5 4 19.8 -19.6 1 11 3 7.4 -7.8 2 2 3 25.1 -27.6 -3 5 4 29.0 -27.6 -1 11 3 20.4 -20.9 4 2 3 23.1 -23.6 -1 5 4 11.3 -11.2 -3 11 3 14.1 -14.5 5 1 3 6.3 6.3 1 5 4 24.4 25.4 -4 10 3 10.8 11.3 1 1 3 37.6 -38.0 5 5 4 9.2 -8.9 -2 10 3 19.3 19.6 -1 1 3 81.8 -81.7 4 4 4 6.8 5.9 0 10 3 8.0 9.0 -3 1 3 65.2 -66.4 2 4 4 23.4 -23.2 2 10 3 7.6 -6.9 -5 1 3 17.1 -17.6 0 4 4 25.4 -26.6 4 10 3 8.5 -8.5 -8 0 3 12.5 11.7 -2 4 4 24.3 24.4 5 9 3 37.9 -38.4 -6 0 3 30.6 -29.4 -4 4 4 20.2 19.7 3 9 3 46.4 -45.0 -4 0 3 82.1 -84.1 -6 4 4 16.3 15.4 1 9 3 28.6 -27.0 -2 0 3 60.1 -60.0 -7 3 4 32.9 31.0 -1 9 3 20.7 -20.6 0 0 3 117.2 -118.7 -5 3 4 36.4 35.3 -3 9 3 6.2 -6.4 2 0 3 41.5 -43.8 -3 3 4 38.3 39.3 -4 8 3 15.2 15.2 4 0 3 19.0 19.4 -1 3 4 45.0 45.6 -2 8 3 27.8 27.4 6 0 3 10.3 10.9 1 3 4 46.8 -46.9 0 8 3 10.3 10.2 2 4 3 5.9 -6.0 3 3 4 38.5 -37.8 4 8 3 11.5 -11.3 1 13 4 7.8 8.7 5 3 4 18.6 18.8 3 7 3 12.1 12.1 4 12 4 20.2 21.5 7 3 4 26.5 27.5 1 7 3 22.8 -22.1 2 12 4 41.1 43.4 6 2 4 9.6 10.7 -1 7 3 47.7 -46.2 0 12 4 28.2 29.2 4 2 4 9.2 -8.7 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -2 2 4 18.2 -19.4 -3 5 5 18.5 19.0 1 9 6 61.3 59.0 -4 2 4 33.4 34.9 -7 5 5 10.9 -10.4 3 9 6 36.9 37.2 -6 2 4 19.0 19.7 -6 4 5 11.4 11.9 4 8 6 10.4 11.2 -7 1 4 11.0 -12.1 -4 4 5 9.5 -9.6 2 8 6 24.7 24.4 -5 1 4 27.0 -28.4 -2 4 5 5.7 -6.0 0 8 6 24.6 24.4 -3 1 4 31.6 -33.5 0 4 5 9.4 8.7 -5 7 6 13.0 12.8 -1 1 4 13.0 -13.4 2 4 5 6.9 7.3 1 7 6 16.6 -16.1 1 1 4 13.0 14.6 4 4 5 26.6 26.7 3 7 6 21.1 -21.2 5 1 4 8.7 -9.2 6 4 5 12.5 13.5 6 6 6 18.9 20.9 7 1 4 7.9 -9.5 5 3 5 18.2 19.1 4 6 6 18.9 18.7 6 0 4 5.6 -6.1 3 3 5 6.3 6.0 2 6 6 14.4 -14.0 4 0 4 68.9 71.4 1 3 5 101.2 -103.0 0 6 6 6.8 -6.3 2 0 4 127.8 128.9 -1 3 5 130.5 -132.7 -2 6 6 81.4 79.1 0 0 4 64.7 65.9 -3 3 5 71.1 -70.9 -4 6 6 76.6 74.4 -2 0 4 80.0 80.2 -5 3 5 25.5 -24.2 -6 6 6 26.7 25.1 -4 0 4 16.4 17.3 -7 3 5 6.4 -6.6 -5 5 6 10.1 9.7 6 4 4 7.4 7.2 -6 2 5 7.7 8.0 -3 5 6 19.7 19.9 7 5 4 7.8 -7.4 -4 2 5 10.7 10.5 -1 5 6 11.9 -11.2 -3 13 4 6.5 -7.0 -2 2 5 19.6 -20.0 1 5 6 32.9 -33.0 0 12 5 15.1 15.9 0 2 5 13.2 -14.6 3 5 6 14.8 -14.6 2 12 5 10.3 -11.2 2 2 5 38.6 40.1 4 4 6 14.8 15.5 3 11 5 8.2 -8.6 4 2 5 23.0 23.9 2 4 6 37.3 37.5 -1 11 5 13.6 14.1 6 2 5 11.3 12.6 0 4 6 52.4 53.8 -2 10 5 8.8 -8.8 5 1 5 17.9 -19.0 -4 4 6 9.3 -9.5 2 10 5 7.5 7.0 3 1 5 17.9 -18.8 -7 3 6 10.7 10.7 4 10 5 10.5 11.6 -1 1 5 15.4 16.2 -5 3 6 10.2 -9.4 5 9 5 8.8 9.2 -3 1 5 15.9 17.9 -3 3 6 39.1 -38.8 1 9 5 46.7 -46.0 -7 1 5 11.5 -11.3 -1 3 6 49.0 50.5 -1 9 5 82.0 -79.5 -8 0 5 15.8 -15.4 1 3 6 123.3 125.1 -3 9 5 35.3 -33.6 -6 0 5 16.0 -17.2 3 3 6 55.3 54.1 -5 9 5 11.9 -11.6 -4 0 5 30.6 -33.2 4 2 6 22.2 23.1 -2 8 5 8.8 -9.1 -2 0 5 44.3 45.9 2 2 6 51.7 54.0 2 8 5 9.7 9.4 0 0 5 100.0 101.8 0 2 6 24.3 24.3 4 8 5 16.9 17.5 2 0 5 47.7 -48.6 -2 2 6 24.8 26.5 6 8 5 8.2 9.0 4 0 5 62.0 -64.4 -6 2 6 9.9 -9.6 5 7 5 10.1 -10.2 6 0 5 22.0 -24.2 -5 1 6 13.0 14.2 3 7 5 16.9 -16.8 -8 4 5 8.9 9.0 -3 1 6 16.6 18.2 -1 7 5 26.0 25.5 -7 7 5 6.8 -6.1 -1 1 6 7.7 -8.5 -3 7 5 7.2 6.9 3 9 5 8.7 8.3 1 1 6 32.1 -34.2 -6 6 5 19.0 -17.3 1 13 6 7.9 -9.8 3 1 6 22.0 -22.2 -4 6 5 10.8 -10.5 2 12 6 9.3 -10.3 6 0 6 29.3 30.2 -2 6 5 22.3 21.0 -2 12 6 32.4 32.8 4 0 6 20.5 20.9 0 6 5 40.0 39.8 -4 12 6 33.9 34.7 2 0 6 25.8 -26.7 2 6 5 18.3 -17.7 1 11 6 10.4 -11.3 0 0 6 31.2 31.4 4 6 5 55.7 -53.7 3 11 6 11.4 -12.5 -2 0 6 101.7 102.9 6 6 5 20.7 -21.1 2 10 6 19.6 19.8 -4 0 6 96.9 97.4 5 5 5 17.6 -17.7 0 10 6 16.5 16.3 -6 0 6 38.3 40.4 3 5 5 12.0 -12.1 -5 9 6 8.2 -8.1 -8 0 6 8.1 7.9 1 5 5 6.5 6.1 -3 9 6 12.6 -12.7 -4 8 6 7.1 -7.0 -1 5 5 6.0 5.7 -1 9 6 22.6 22.1 4 10 6 7.9 8.2 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ -4 10 6 6.8 -5.7 1 1 7 28.2 -28.9 6 0 8 11.8 12.8 1 13 7 7.8 -8.2 -1 1 7 40.2 -41.1 4 0 8 30.5 30.5 -1 13 7 9.7 -10.0 -3 1 7 19.9 -21.7 2 0 8 66.8 65.2 -4 12 7 10.8 -10.6 -6 0 7 18.7 20.1 0 0 8 64.2 66.3 -2 12 7 36.2 -36.6 -4 0 7 15.7 -17.4 -2 0 8 25.8 26.3 0 12 7 24.9 -26.6 -2 0 7 123.9 -125.8 -4 0 8 13.6 -14.4 -1 11 7 16.7 -17.1 0 0 7 64.4 -65.7 -6 0 8 8.5 -7.9 -3 11 7 9.1 -9.0 2 0 7 9.5 9.5 -8 0 8 17.4 18.2 -2 10 7 15.4 16.3 -7 1 7 6.2 7.1 1 1 8 5.4 6.3 0 10 7 16.7 17.6 -5 7 7 6.5 4.4 -1 11 8 7.5 -7.7 5 9 7 15.4 -16.1 2 12 8 15.9 18.2 -2 12 8 8.8 10.2 3 9 7 28.3 -28.9 0 12 8 25.3 26.3 -2 10 9 7.1 -7.7 1 9 7 21.0 -21.0 -3 11 8 10.3 -11.0 0 10 9 8.9 -9.1 -1 9 7 22.2 22.3 2 10 8 8.9 -8.5 3 9 9 20.2 -21.4 -3 9 7 7.7 7.2 -2 10 8 9.3 10.1 1 9 9 29.3 -28.5 -5 9 7 29.6 -29.9 -4 10 8 12.3 12.4 -1 9 9 34.5 -34.6 -4 8 7 7.3 7.8 -5 9 8 32.6 33.9 -3 9 9 36.5 -37.3 -2 8 7 21.4 21.7 -3 9 8 29.8 29.6 -5 9 9 8.1 -9.2 0 8 7 25.8 25.8 1 9 8 10.3 -9.3 -6 8 9 7.2 7.9 2 8 7 6.4 6.9 2 8 8 9.2 -9.5 -2 8 9 9.4 -9.1 1 7 7 10.2 -9.8 -2 8 8 10.9 11.4 0 8 9 12.0 -11.9 -1 7 7 32.8 -32.4 -4 8 8 16.1 16.6 5 7 9 7.0 -7.5 -3 7 7 17.2 -16.6 -5 7 8 11.8 -12.9 -5 7 9 11.3 -12.3 -6 6 7 14.5 14.1 -3 7 8 17.9 -17.9 -6 6 9 23.4 -23.5 -4 6 7 21.5 -21.1 -1 7 8 16.7 -16.4 4 6 9 12.5 -12.0 -2 6 7 73.7 -71.6 1 7 8 8.7 8.3 3 5 9 10.8 -11.5 0 6 7 58.4 -57.7 3 7 8 8.1 8.2 -1 5 9 9.5 10.0 4 6 7 9.2 8.7 4 6 8 26.0 25.9 -3 5 9 6.5 -6.0 5 5 7 9.1 8.9 2 6 8 38.1 37.6 -5 5 9 9.1 -10.0 1 5 7 27.5 -27.7 0 6 8 58.2 56.9 -7 5 9 9.2 -9.5 -1 5 7 27.7 -27.4 -2 6 8 23.4 23.1 -6 4 9 8.2 8.9 -3 5 7 15.3 -15.5 -4 6 8 21.5 -21.1 -2 4 9 9.9 -9.7 -7 5 7 7.1 7.1 -5 5 8 17.7 -18.5 0 4 9 23.8 -23.9 -4 4 7 14.6 14.8 -3 5 8 30.6 -30.8 4 4 9 7.6 7.7 -2 4 7 24.8 24.8 2 4 8 8.7 -8.4 3 3 9 30.0 -29.5 0 4 7 43.5 43.5 0 4 8 10.8 -10.6 1 3 9 60.4 -59.6 2 4 7 15.4 15.6 -2 4 8 16.0 16.5 -1 3 9 68.7 -67.8 4 4 7 10.3 -10.2 -4 4 8 28.1 28.7 -3 3 9 55.1 -55.5 5 3 7 27.7 -29.4 -7 3 8 8.5 9.7 -5 3 9 19.2 -19.0 3 3 7 52.3 -52.9 -5 3 8 53.6 54.9 -7 3 9 7.8 9.1 1 3 7 26.4 -25.7 -3 3 8 56.5 56.9 -6 2 9 14.2 15.6 -1 3 7 27.1 27.8 -1 3 8 10.5 -9.6 -2 2 9 22.0 -23.1 -3 3 7 6.7 6.4 1 3 8 15.2 -14.7 0 2 9 5.1 -6.5 -5 3 7 41.1 -42.2 2 2 8 25.1 -25.4 5 1 9 9.5 -10.3 -7 3 7 34.8 -36.2 -2 2 8 25.1 26.3 3 1 9 11.7 -12.0 -4 2 7 6.6 6.4 -4 2 8 16.3 17.5 -1 1 9 7.8 8.7 -2 2 7 56.3 57.5 -6 2 8 11.8 12.2 -5 1 9 13.5 -14.6 0 2 7 36.3 37.9 -5 1 8 19.6 -21.1 -7 1 9 9.7 -11.8 2 2 7 6.0 6.3 -3 1 8 33.4 -35.0 -6 0 9 34.0 -34.9 5 1 7 8.4 9.0 -1 1 8 15.2 -15.0 -2 0 9 14.5 14.7 H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/ 0 0 9 13.5 -13.6 -3 9 11 15.6 -16.4 -1 3 12 41.8 39.6 4 0 9 12.3 -12.3 -2 8 11 10.0 10.1 3 3 12 14.1 -13.8 6 0 9 21.7 -22.7 0 8 11 13.4 13.9 0 2 12 7.7 6.9 5 5 9 7.5 -8.1 1 7 11 11.6 -11.9 -2 2 12 24.6 23.7 -4 10 10 7.0 -7.0 -1 7 11 7.3 -7.4 -4 2 12 13.9 14.8 1 9 10 13.6 13.4 -3 7 11 6.8 -6.7 -3 1 12 12.5 -12.7 3 9 10 22.6 22.9 -2 6 11 13.8 -13.8 -1 1 12 13.2 -12.2 4 8 10 8.1 7.4 0 6 11 41.2 -39.6 3 1 12 8.1 8.2 -4 8 10 8.0 -8.7 2 6 11 23.3 -24.0 4 0 12 22.4 23.1 -3 7 10 8.6 8.4 1 5 11 12.9 -12.6 2 0 12 40.9 40.0 1 7 10 13.6 -14.8 -1 5 11 17.7 -17.8 0 0 12 23.3 22.6 3 7 10 9.2 -10.1 -2 4 11 15.5 15.8 -2 0 12 19.2 -17.3 4 6 10 11.7 -10.9 0 4 11 23.5 23.1 -6 0 12 20.0 20.3 0 6 10 33.8 31.9 2 4 11 10.1 10.2 3 5 12 7.4 8.3 -2 6 10 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