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 5. Anisotropic thermal parameters for atoms in P21/a titanite, x10^4 _____________________________________________________________________________ _____________________________________________________________________________ 11 22 33 12 13 23 _____________________________________________________________________________ Ti: 45.9(9) 15.2(7) 25(1) 19(1) 27(2) 0(1) Ca: 94(1) 14.1(7) 35(1) -2(3) 0(2) -4(4) Si: 15(1) 7(1) 16(2) 1(2) 23(2) 2(4) O1: 27(4) 14(3) 63(5) -13(7) 55(6) 10(10) O2: 32(4) 15(3) 34(5) 4(6) 24(7)- -2(7) O3: 45(4) 12(3) 30(5) 14(6) 38(7) 9(8) O4: 45(4) 12(3) 30(5) 14(6) 38(7) 9(8) O5: 31(4) 21(3) 35(5) 8(6) 34(7) -2(8) _____________________________________________________________________________ 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)]. _____________________________________________________________________________