Observed and calculated structure factors for biotite-1M crystals: CC1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
1 1 1 38.4 -38.4 -1 9 3 35.5 -35.5 1 3 7 50.6 -50.9
1 1 0 29.5 31.9 -1 9 4 19.0 20.5 1 3 6 143.5 146.9
-1 1 1 13.9 15.3 -1 9 5 98.0 -92.8 1 3 5 121.1 -124.0
-1 1 2 62.6 -65.0 -1 9 6 35.6 35.6 1 3 4 15.2 -14.5
-1 1 3 79.1 -82.3 -1 9 7 13.0 12.8 1 3 3 103.7 -102.3
-1 1 4 16.8 -15.6 -1 9 8 15.7 17.3 1 3 2 66.9 65.3
-1 1 5 10.2 10.6 -1 9 9 50.3 -49.3 1 1 14 8.4 -7.4
-1 1 7 37.3 -39.0 -1 9 11 11.2 -11.4 1 1 13 9.6 10.7
-1 1 8 16.5 -16.3 1 11 0 20.7 21.0 1 1 11 16.4 -16.6
-1 1 11 17.6 -18.3 -1 11 2 26.1 -27.2 1 1 10 16.0 -16.0
-1 1 12 12.7 -13.0 -1 11 3 24.4 -25.1 1 1 7 28.4 -29.2
-1 1 13 6.9 6.9 -1 11 5 16.9 17.2 1 1 6 28.8 -30.1
-1 1 15 13.9 -12.2 -1 11 7 22.3 -22.6 1 1 4 10.7 10.6
-1 1 9 6.8 6.8 1 13 1 11.7 -10.9 1 1 3 41.4 -42.0
1 3 1 9.1 9.0 1 13 0 8.4 9.1 1 1 2 84.5 -87.7
1 3 0 28.3 -25.9 -1 13 1 7.8 7.0 0 12 7 36.9 -36.7
-1 3 1 146.8 -143.4 -1 13 3 15.7 -15.6 0 12 4 40.8 40.3
-1 3 2 125.6 121.8 1 13 4 12.0 11.6 0 12 3 34.7 -34.0
-1 3 3 131.0 -129.0 1 13 2 17.5 -18.6 0 12 1 24.3 -26.1
-1 3 4 71.2 71.4 1 11 6 11.1 -10.8 0 12 0 79.3 78.4
-1 3 5 149.0 -150.0 1 11 3 13.6 -14.3 0 10 9 11.9 -10.8
-1 3 6 68.8 70.8 1 11 2 17.3 -18.2 0 10 7 15.4 16.9
-1 3 7 9.2 7.4 1 9 11 10.2 10.6 0 10 6 16.9 16.9
-1 3 9 86.3 -83.8 1 9 10 28.1 26.4 0 10 2 22.3 23.5
-1 3 12 64.8 62.8 1 9 9 46.1 -43.6 0 8 12 14.1 13.1
-1 3 13 67.1 -64.6 1 9 7 35.9 -35.5 0 8 11 19.6 19.3
-1 3 15 20.4 -18.4 1 9 6 75.3 74.1 0 8 9 16.7 -17.5
1 5 1 41.6 -43.1 1 9 5 56.8 -56.8 0 8 8 8.5 -8.2
1 5 0 18.5 20.6 1 9 3 41.9 -42.1 0 8 7 27.0 27.5
-1 5 1 17.0 17.6 1 9 2 46.6 47.2 0 8 6 33.4 33.6
-1 5 2 29.4 -31.7 1 7 11 12.5 -13.2 0 8 4 11.1 -12.4
-1 5 3 44.9 -46.4 1 7 10 17.3 -17.6 0 8 2 26.1 27.0
-1 5 4 14.7 -14.5 1 7 7 9.5 -9.6 0 8 1 14.6 15.2
-1 5 6 9.3 -8.3 1 7 6 12.1 -12.7 0 6 13 10.5 10.3
-1 5 7 27.8 -29.2 1 7 3 24.7 -26.2 0 6 12 21.0 19.8
-1 5 9 7.9 8.1 1 7 2 34.2 -35.8 0 6 11 60.2 -60.2
-1 5 11 18.9 -19.8 1 5 11 15.3 -14.4 0 6 10 51.5 50.8
-1 5 12 11.2 -12.5 1 5 10 8.1 -8.2 0 6 8 75.4 74.4
-1 5 13 11.2 9.7 1 5 7 28.0 -28.7 0 6 7 70.5 -73.3
1 7 0 25.4 27.6 1 5 6 31.5 -32.0 0 6 6 9.6 8.4
-1 7 2 45.3 -46.9 1 5 5 7.6 7.7 0 6 5 22.9 21.1
-1 7 3 45.8 -48.0 1 5 4 22.2 23.0 0 6 4 88.2 87.4
-1 7 5 23.4 23.6 1 5 3 19.2 -20.6 0 6 3 50.7 -51.5
-1 7 7 30.6 -32.0 1 5 2 56.8 -60.5 0 6 2 32.6 31.8
-1 7 8 17.6 -19.6 1 3 14 23.1 23.1 0 6 1 70.4 -72.0
-1 7 11 6.8 -6.6 1 3 13 50.5 -49.5 0 6 0 176.6 175.0
1 9 1 25.4 -24.2 1 3 12 11.1 11.2 0 4 12 22.0 20.8
1 9 0 18.1 -15.7 1 3 11 14.7 13.5 0 4 11 27.0 28.2
-1 9 1 64.7 -63.9 1 3 10 26.3 25.7 0 4 9 27.6 -30.0
-1 9 2 81.9 80.4 1 3 9 81.9 -79.1 0 4 8 11.8 -12.7
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
0 4 7 43.1 44.2 2 10 2 13.8 14.9 2 0 3 72.6 -72.0
0 4 6 53.9 58.3 2 10 1 16.4 17.8 2 0 2 131.3 129.5
0 4 5 16.1 16.5 2 8 11 12.6 11.3 2 0 1 127.0 -124.2
0 4 4 23.3 -24.8 2 8 10 11.4 12.0 2 0 0 151.4 146.0
0 4 3 15.7 -14.1 2 8 6 29.9 28.8 -2 0 1 27.9 25.9
0 4 2 27.8 30.5 2 8 4 12.3 -14.1 -2 0 2 10.6 -9.3
0 4 1 40.1 39.9 2 8 2 23.8 26.5 -2 0 3 65.6 -67.1
0 4 0 48.3 47.5 2 8 1 28.8 29.4 -2 0 4 109.2 103.0
0 2 15 14.9 14.8 -2 8 1 16.4 -16.8 -2 0 5 18.4 17.1
0 2 13 13.3 -13.1 2 6 12 59.6 57.4 -2 0 6 124.4 124.4
0 2 11 19.8 19.6 2 6 11 40.2 -39.8 -2 0 7 151.5 -148.2
0 2 10 13.6 13.6 2 6 10 13.2 13.5 -2 0 8 48.7 48.8
0 2 7 32.5 34.1 2 6 9 16.2 -15.6 -2 0 10 81.2 81.6
0 2 6 19.9 21.8 2 6 8 47.2 47.7 -2 0 11 23.7 -25.5
0 2 5 12.0 -11.7 2 6 7 14.6 -16.4 -2 0 12 12.4 -12.8
0 2 3 57.0 58.9 2 6 5 25.5 -26.8 -2 0 13 11.8 -13.0
0 2 2 81.8 83.6 2 6 4 120.4 119.3 -2 0 14 49.0 48.3
0 2 1 9.0 9.3 2 6 3 57.6 -58.1 -2 0 15 22.3 -22.4
0 2 0 33.2 -35.5 2 6 2 32.5 33.5 -2 2 2 43.2 44.6
0 0 15 34.8 -32.7 2 6 1 107.6 -101.4 -2 2 3 13.8 15.9
0 0 14 19.9 17.3 2 6 0 117.3 118.8 -2 2 4 24.1 -24.2
0 0 13 19.5 18.9 -2 6 1 49.2 46.5 -2 2 5 15.3 -15.6
0 0 12 43.5 41.0 2 4 11 10.3 10.9 -2 2 6 33.9 32.6
0 0 11 65.8 -64.5 2 4 10 13.5 13.5 -2 2 7 61.0 62.4
0 0 10 61.3 59.7 2 4 8 7.3 -7.4 -2 2 8 26.0 28.0
0 0 9 39.7 -42.1 2 4 7 17.8 17.8 -2 2 9 27.8 -28.7
0 0 8 80.9 85.0 2 4 6 33.3 35.2 -2 2 10 18.5 -19.1
0 0 7 76.6 -78.8 2 4 5 7.3 7.2 -2 2 11 13.7 13.5
0 0 6 58.6 59.1 2 4 4 18.7 -20.6 -2 2 12 29.1 30.9
0 0 5 82.5 80.5 2 4 2 54.0 55.6 -2 2 13 12.8 10.8
0 0 4 76.0 76.8 2 4 1 51.0 51.7 -2 2 14 11.8 -11.3
0 0 3 137.7 -139.1 -2 4 1 25.1 -27.0 -2 4 2 10.9 12.4
0 0 2 14.6 15.9 2 2 13 10.7 -10.9 -2 4 3 47.5 48.8
0 0 1 83.3 -86.7 2 2 11 28.2 28.2 -2 4 4 27.2 27.8
0 4 14 7.8 -8.2 2 2 10 23.4 24.2 -2 4 7 19.5 20.0
1 1 8 3.0 3.1 2 2 9 11.4 -9.5 -2 4 8 15.2 16.4
1 13 3 5.5 -5.1 2 2 8 28.8 -32.0 -2 4 11 17.0 18.1
-1 3 11 7.6 -7.6 2 2 6 57.3 59.3 -2 4 12 17.5 16.2
-1 3 8 3.2 3.4 2 2 5 45.6 49.0 -2 4 14 13.4 -13.4
2 12 5 20.2 -20.8 2 2 3 27.7 -29.1 -2 6 2 21.9 22.9
2 12 4 52.8 55.5 2 2 1 34.0 35.9 -2 6 3 87.8 -86.6
2 12 3 20.4 -21.5 2 2 0 49.3 47.1 -2 6 4 38.5 37.1
2 12 2 15.3 16.4 -2 2 1 39.9 39.4 -2 6 6 104.0 100.7
2 12 1 44.6 -47.0 2 0 14 21.1 18.5 -2 6 7 78.7 -82.0
2 12 0 50.6 48.8 2 0 12 65.1 65.3 -2 6 8 39.0 39.6
-2 12 1 14.3 11.8 2 0 11 63.1 -63.7 -2 6 9 13.7 -14.7
2 10 8 12.9 -12.4 2 0 9 8.9 -9.2 -2 6 10 45.9 46.6
2 10 7 5.4 5.7 2 0 8 82.0 83.0 -2 6 11 26.2 -26.2
2 10 6 23.8 24.0 2 0 5 69.6 -69.9 -2 8 2 14.6 15.8
2 10 5 11.3 12.0 2 0 4 148.8 152.1 -2 8 3 26.3 25.5
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
-2 8 5 7.4 -7.9 3 7 10 12.2 -12.0 -3 1 12 11.9 -12.8
-2 8 7 21.5 21.7 -3 9 1 87.8 -87.5 -3 1 8 35.1 -36.6
-2 8 8 11.0 11.7 3 9 0 52.1 49.5 -3 1 7 18.9 -19.8
-2 8 12 16.1 15.8 3 9 2 28.2 28.4 -3 1 6 17.4 17.6
-2 10 2 10.3 10.3 3 9 3 65.3 -64.9 -3 1 5 11.3 12.5
-2 10 3 14.9 15.3 3 9 4 14.6 -13.7 -3 1 4 33.5 -34.4
-2 10 7 18.6 19.0 3 9 6 57.2 56.3 -3 1 3 66.0 -68.3
-2 10 8 12.3 11.8 3 9 7 42.8 -43.9 -3 1 2 16.0 -15.9
-2 10 9 12.0 -11.7 3 9 9 39.4 -39.5 4 12 0 15.9 13.1
-2 12 3 42.9 -41.8 -3 11 1 12.3 11.6 -4 12 1 10.7 9.8
-2 12 4 24.1 23.6 3 11 1 21.0 -21.5 4 10 5 11.7 13.5
-2 12 6 42.8 43.5 3 11 2 9.0 -8.9 4 10 1 18.5 19.1
-2 12 7 44.9 -47.3 3 11 5 12.1 -12.7 4 10 0 11.6 12.0
-3 1 1 22.5 23.8 3 11 6 12.0 -14.2 4 8 6 13.6 14.1
3 1 1 41.6 -42.5 -3 11 8 10.9 -11.0 4 8 5 26.0 26.0
3 1 2 40.5 -40.8 -3 11 7 13.0 -12.6 4 8 3 14.8 -15.4
3 1 5 17.5 -18.0 -3 11 3 17.3 -17.9 4 8 1 18.5 17.7
3 1 6 21.9 -21.3 -3 9 11 25.7 -26.5 4 8 0 19.5 19.0
3 1 9 14.1 -14.2 -3 9 9 51.8 -54.2 4 6 10 11.4 -10.1
3 1 10 18.7 -19.6 -3 9 8 40.3 40.8 4 6 9 25.6 -26.3
3 1 12 12.7 12.4 -3 9 5 47.7 -47.0 4 6 8 47.3 43.9
-3 3 1 179.3 -177.4 -3 9 4 29.4 30.6 4 6 6 36.3 37.2
3 3 0 78.6 73.7 -3 9 3 23.7 -23.9 4 6 5 77.0 -75.8
3 3 1 31.8 -32.9 -3 9 2 29.4 29.8 4 6 4 60.2 59.4
3 3 2 51.2 51.2 -3 7 12 13.1 -14.2 4 6 2 43.1 43.1
3 3 3 90.7 -87.8 -3 7 11 8.5 -8.6 4 6 1 45.7 -48.4
3 3 4 22.5 -20.5 -3 7 8 18.9 -18.3 4 6 0 25.8 25.3
3 3 5 8.1 -8.1 -3 7 7 15.9 -16.6 -4 6 1 16.1 15.8
3 3 6 71.7 73.9 -3 7 4 15.9 -15.6 4 4 10 19.0 19.3
3 3 7 77.4 -77.5 -3 7 3 27.3 -28.5 4 4 9 11.8 10.7
3 3 9 52.0 -51.9 -3 5 9 9.1 -8.5 4 4 8 14.8 -14.3
3 3 10 62.7 62.3 -3 5 8 33.1 -33.4 4 4 7 13.3 -15.0
3 3 11 22.0 -20.1 -3 5 7 15.4 -16.1 4 4 6 17.3 18.1
3 3 12 11.3 -11.5 -3 5 6 23.0 23.9 4 4 5 34.4 35.1
-3 5 1 25.0 27.4 -3 5 5 13.9 15.0 4 4 4 14.9 14.1
3 5 0 11.5 11.2 -3 5 4 27.9 -28.0 4 4 3 16.0 -15.6
3 5 1 30.4 -30.4 -3 5 3 58.8 -60.1 4 4 1 21.1 20.6
3 5 2 31.6 -33.2 -3 5 2 15.1 -16.2 4 4 0 20.7 20.9
3 5 3 8.8 -9.3 -3 3 14 10.8 -10.3 4 2 10 10.3 9.7
3 5 5 12.3 -13.3 -3 3 13 20.5 -21.2 4 2 6 26.3 27.5
3 5 6 12.8 -12.8 -3 3 12 60.2 60.9 4 2 5 26.3 26.7
3 5 9 15.0 -14.8 -3 3 11 48.8 -50.0 4 2 4 9.9 -10.2
3 5 10 17.5 -18.2 -3 3 9 72.0 -74.9 4 2 3 25.8 -27.1
-3 7 1 9.4 10.6 -3 3 8 74.2 73.1 4 2 2 13.6 14.9
3 7 0 8.4 -8.3 -3 3 7 10.6 -9.9 4 2 1 54.5 54.7
3 7 1 35.0 -33.5 -3 3 6 23.2 -20.0 4 2 0 35.7 37.1
3 7 2 18.0 -17.7 -3 3 5 88.5 -88.2 -4 2 1 15.1 -16.6
3 7 3 12.5 11.5 -3 3 4 55.3 53.7 4 0 9 25.2 -25.7
3 7 5 16.7 -17.3 -3 3 3 36.7 -33.8 4 0 8 42.8 45.7
3 7 6 22.2 -22.3 -3 3 2 72.4 73.0 4 0 7 14.6 -15.7
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
4 0 6 42.0 42.7 -4 10 8 12.4 13.3 -5 3 13 10.3 9.0
4 0 5 84.7 -84.1 -4 12 2 37.7 37.5 -5 3 12 27.9 28.3
4 0 4 105.7 104.2 -4 12 3 43.8 -43.8 -5 3 11 46.5 -45.9
4 0 2 38.6 38.3 5 1 0 18.1 -18.9 -5 3 9 36.4 -36.3
4 0 1 90.6 -87.9 5 1 1 24.9 -26.3 -5 3 8 76.5 75.6
4 0 0 22.0 23.3 5 1 4 11.9 -11.9 -5 3 7 57.7 -58.8
-4 0 1 50.1 47.1 5 1 5 19.5 -20.3 -5 3 5 42.8 -43.3
-4 0 2 121.7 120.7 5 1 7 10.1 10.4 -5 3 4 49.8 49.3
-4 0 3 105.8 -102.2 5 1 9 14.5 -15.8 -5 3 3 25.8 -26.7
-4 0 4 34.0 34.1 5 1 10 10.9 -10.2 -5 3 2 15.4 -15.0
-4 0 5 57.4 -59.5 -5 3 1 65.3 -66.5 -5 1 13 13.5 -13.1
-4 0 6 120.6 120.9 5 3 0 87.3 84.9 -5 1 10 8.9 9.0
-4 0 7 29.0 -28.8 5 3 1 39.6 -38.9 -5 1 9 20.0 -19.8
-4 0 9 17.9 -17.9 5 3 2 19.8 21.8 -5 1 8 22.5 -23.4
-4 0 10 49.7 50.1 5 3 3 100.8 -97.1 -5 1 6 12.5 14.5
-4 0 11 16.1 -16.3 5 3 4 36.6 37.5 -5 1 4 33.6 -34.0
-4 0 12 11.0 12.2 5 3 5 14.8 13.9 -5 1 3 21.2 -21.6
-4 0 13 39.9 -39.8 5 3 6 17.5 17.4 6 8 3 12.3 -10.8
-4 0 14 56.9 56.8 5 3 7 52.1 -50.9 6 8 2 8.4 -8.2
-4 2 2 23.4 -25.0 5 3 9 11.6 -13.6 6 8 1 10.8 11.1
-4 2 3 18.3 18.4 5 5 0 18.8 -19.2 6 8 0 19.5 21.0
-4 2 4 37.6 38.6 5 5 1 18.8 -18.9 6 6 5 37.9 -38.3
-4 2 5 15.0 15.9 5 5 4 12.7 -11.6 6 6 4 10.8 9.8
-4 2 8 18.5 17.4 5 5 5 22.6 -22.2 6 6 3 10.5 8.3
-4 2 11 10.9 11.2 -5 7 1 12.0 12.1 6 6 2 43.1 41.9
-4 2 12 16.2 19.1 5 7 1 21.7 -22.4 6 6 1 35.7 -35.7
-4 2 13 8.6 8.2 -5 9 1 51.3 -50.3 -6 6 1 27.8 -28.4
-4 4 3 24.8 24.7 5 9 0 49.6 49.2 6 4 5 20.7 19.7
-4 4 4 15.5 15.1 5 9 1 17.4 -18.0 6 4 3 13.7 -13.8
-4 4 5 14.7 -14.6 5 9 2 23.0 22.4 6 4 1 16.9 18.2
-4 4 7 18.9 19.9 5 9 3 55.6 -57.6 6 4 0 29.6 31.5
-4 4 8 38.5 36.0 5 9 4 22.8 22.2 -6 4 1 8.6 8.5
-4 4 10 18.6 -19.3 -5 9 8 48.9 47.9 6 2 7 12.1 -12.4
-4 4 12 14.9 14.7 -5 9 7 46.3 -45.0 6 2 5 16.4 17.7
-4 4 13 16.1 16.9 -5 9 5 26.1 -24.0 6 2 4 21.6 20.5
-4 6 2 66.3 65.1 -5 9 4 43.4 43.3 6 2 2 9.3 -9.7
-4 6 3 81.8 -82.6 -5 9 3 12.9 -11.2 6 2 1 7.0 7.5
-4 6 4 36.5 36.7 -5 9 2 13.9 -11.6 6 2 0 16.0 17.2
-4 6 5 18.8 -20.6 -5 7 9 17.8 -18.8 6 0 8 27.8 29.6
-4 6 6 93.5 95.6 -5 7 8 14.9 -13.5 6 0 6 58.7 58.5
-4 6 7 37.7 -37.3 -5 7 6 17.0 16.4 6 0 5 42.0 -42.6
-4 6 8 13.1 -13.1 -5 7 4 29.5 -31.3 6 0 2 49.2 48.1
-4 6 9 19.4 -19.0 -5 7 3 19.1 -18.6 6 0 1 29.0 -31.2
-4 6 10 52.4 51.3 -5 5 10 13.5 12.1 6 0 0 26.5 25.9
-4 6 12 13.2 11.9 -5 5 9 14.1 -13.6 -6 0 1 31.8 -31.7
-4 8 3 15.7 16.2 -5 5 8 22.8 -22.2 -6 0 2 91.0 91.3
-4 8 4 12.3 12.4 -5 5 6 11.2 10.5 -6 0 3 52.5 -52.6
-4 8 8 23.3 24.5 -5 5 4 22.2 -22.3 -6 0 5 30.5 -31.0
-4 10 3 9.8 10.4 -5 5 3 17.4 -16.2 -6 0 6 72.7 69.0
-4 10 4 15.3 15.7 -5 5 2 9.0 9.4 -6 0 7 13.4 13.1
1
H K L /FO/ /FC/ H K L /FO/ /FC/ H K L /FO/ /FC/
-6 0 9 58.3 -58.9 -6 6 9 37.4 -38.1 -7 5 2 11.5 12.3
-6 0 10 43.2 43.8 -6 8 2 12.4 -12.9 -7 3 8 23.1 23.1
-6 0 12 40.6 40.6 -6 8 4 15.6 16.0 -7 3 7 61.6 -59.4
-6 2 4 23.3 25.0 -6 8 5 9.1 9.6 -7 3 6 23.1 24.1
-6 2 8 18.7 19.8 7 1 0 15.1 -16.5 -7 3 5 16.7 -18.0
-6 2 9 22.1 23.1 7 1 4 12.0 -12.8 -7 3 4 48.8 49.8
-6 2 11 13.5 -13.6 -7 3 1 13.8 -11.0 -7 3 3 49.6 -52.5
-6 4 2 13.6 -15.7 7 3 0 45.5 44.8 -7 3 2 11.1 -11.5
-6 4 4 17.9 19.3 7 3 1 26.8 -26.4 -7 1 9 17.4 -18.3
-6 4 5 16.0 16.8 7 3 3 47.4 -48.2 -7 1 5 16.4 -17.3
-6 6 2 83.6 82.6 7 3 4 51.5 52.1 -7 1 4 16.9 -18.8
-6 6 3 28.0 -28.4 7 5 0 15.0 -15.1 -8 0 1 45.2 -48.0
-6 6 5 35.7 -36.7 -7 5 7 10.9 10.4 -8 0 2 42.5 40.8
-6 6 6 43.3 42.8 -7 5 5 16.8 -17.7 -8 0 4 15.0 15.6
-6 6 8 10.0 10.0 -7 5 4 18.2 -18.4