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: Zo1, X(Fe/(Fe+Al-2)) = 0.035 _database_code_amcsd 0002856 16.1900 5.5511 10.0332 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 .4380 .0074 .0098 .0069 0 .0009 0 CaA2 .4515 .25 .1123 .0125 .0110 .0077 0 -.0001 0 AlM1,2 .2509 .9957 .1899 .0047 .0040 .0060 -.0001 .0002 -.0003 AlM3 .1039 .75 .3015 .965 .0035 .0061 .0074 0 -.0005 0 FeM3 .1039 .75 .3015 .035 .0035 .0061 .0074 0 -.0005 0 SiT1 .0817 .25 .1038 .0039 .0043 .0053 0 -.0006 0 SiT2 .4106 .75 .2841 .0044 .0049 .0051 0 -.0003 0 SiT3 .1610 .25 .4358 .0049 .0043 .0047 0 .0005 0 O1 .1323 -.006 .1424 .0059 .0055 .0107 .0003 -.0019 -.0003 O2 .1034 .012 .4294 .0073 .0078 .0083 -.0019 .0016 -.0006 O3 .3601 .996 .2443 .0067 .0042 .0118 -.0004 -.0017 .0001 O4 .2212 .75 .303 .0076 .0034 .0082 0 -.0009 0 O5 .2257 .25 .313 .0062 .0047 .0050 0 .0010 0 O6 .2718 .75 .062 .0045 .0073 .0050 0 -.0009 0 O7 .9916 .25 .165 .006 .0100 .0128 0 .0011 0 O8 .9960 .75 .299 .008 .0126 .0141 0 -.0026 0 O9 .4203 .75 .439 .019 .023 .0073 0 -.0002 0 O10 .2664 .25 .0701 .013 .0058 .0063 0 .0014 0 H .26 .25 .95 .050