Document AM-97-639 Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries John M. Hughes, Erich S. Bloodaxe, John M. Hanchar, and Eugene E. Foord American Mineralogist 82(5-6):512-516 TABLE 4. Anisotropic thermal parameters for atoms in A2/a titanites, x10^4 _____________________________________________________________________________ _____________________________________________________________________________ 11 22 33 12 13 23 _____________________________________________________________________________ Ti: Natural 59(1) 20.9(6) 36(1) 20(1) 25(2) 1(2) La-Al 58.8(8) 18.2(5) 30.3(8) 19.3(9) 22(1) -1.3(9) Dy-Al 52(1) 18.5(8) 29(1) 13(3) 22(2) -2(3) Ca: Natural 160(2) 16.7(6) 44(1) 0 -25(2) 0 La-Al 97.5(9) 17.0(4) 39.9(8) 0 -6(1) 0 Dy-Al 93(2) 16.0(9) 38(2) 0 -8(3) 0 Si: Natural 40(1) 22(1) 47(2) 0 34(3) 0 La-Al 26.9(9) 14.5(6) 23(1) 0 17(2) 0 Dy-Al 38(2) 22(1) 33(2) 0 30(3) 0 O1: Natural 47(4) 27(3) 75(5) 0 52(7) 0 La-Al 36(3) 22(2 63(3) 0 50(4) 0 Dy-Al 39(5) 27(4) 90(7) 0 57(9) 0 O2: Natural 68(3) 36(2) 61(4) 15(5) 24(5) 5(5) La-Al 50(2) 25(1) 43(2) 9(3) 26(3) -1(3) Dy-Al 54(4) 33(2) 37(4) 7(6) 17(6) 5(6) O3: Natural 70(3) 32(2) 69(3) 14(5) 61(5) 1(5) La-Al 46(2) 21(1) 48(2) 10(3) 42(3) 7(3) Dy-Al 47(4) 32(2) 42(4) 13(6) 36(6) 9(7) _____________________________________________________________________________ Note: The form of the anisotropic displacement parameter is: exp[-((1,1)*h^2 + (2,2)*k^2 + (3,3)*l^2 + (1,2)*hk + (1,3)*hl + (2,3)*kl)]. _____________________________________________________________________________