Zoisite Liebscher A, Gottschalk M, Franz G American Mineralogist 87 (2002) 909-921 The substitution Fe-Al and the isosymmetric displacive phase transition in synthetic zoisite: A powder X-ray and infrared spectroscopic study Sample: Zo2, X(Fe/(Fe+Al-2)) = 0.062 _database_code_amcsd 0002857 16.2009 5.5536 10.0336 90 90 90 Pnma atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) CaA1 .3671 .25 .4375 .0074 .0098 .0069 0 .0009 0 CaA2 .4517 .25 .1131 .0125 .0110 .0077 0 -.0001 0 AlM1,2 .2500 .9966 .1902 .0047 .0040 .0060 -.0001 .0002 -.0003 AlM3 .1051 .75 .3011 .938 .0035 .0061 .0074 0 -.0005 0 FeM3 .1051 .75 .3011 .062 .0035 .0061 .0074 0 -.0005 0 SiT1 .0813 .25 .1052 .0039 .0043 .0053 0 -.0006 0 SiT2 .4105 .75 .2830 .0044 .0049 .0051 0 -.0003 0 SiT3 .1603 .25 .4365 .0049 .0043 .0047 0 .0005 0 O1 .1303 -.006 .1430 .0059 .0055 .0107 .0003 -.0019 -.0003 O2 .1024 .009 .4308 .0073 .0078 .0083 -.0019 .0016 -.0006 O3 .3598 .994 .2442 .0067 .0042 .0118 -.0004 -.0017 .0001 O4 .2203 .75 .3028 .0076 .0034 .0082 0 -.0009 0 O5 .2244 .25 .3137 .0062 .0047 .0050 0 .0010 0 O6 .2712 .75 .062 .0045 .0073 .0050 0 -.0009 0 O7 .9917 .25 .165 .006 .0100 .0128 0 .0011 0 O8 .9976 .75 .295 .008 .0126 .0141 0 -.0026 0 O9 .4204 .75 .438 .019 .023 .0073 0 -.0002 0 O10 .2681 .25 .0730 .013 .0058 .0063 0 .0014 0 H .26 .25 .95 .050