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: Zo5, X(Fe/(Fe+Al-2)) = 0.116 _database_code_amcsd 0002859 16.1964 5.5580 10.0400 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 .3652 .25 .4376 .0074 .0098 .0069 0 .0009 0 CaA2 .4531 .25 .1120 .0125 .0110 .0077 0 -.0001 0 AlM1,2 .2516 .993 .1887 .0047 .0040 .0060 -.0001 .0002 -.0003 AlM3 .1059 .75 .303 .884 .0035 .0061 .0074 0 -.0005 0 FeM3 .1059 .75 .303 .116 .0035 .0061 .0074 0 -.0005 0 SiT1 .0842 .25 .100 .0039 .0043 .0053 0 -.0006 0 SiT2 .4139 .75 .2875 .0044 .0049 .0051 0 -.0003 0 SiT3 .1596 .25 .434 .0049 .0043 .0047 0 .0005 0 O1 .136 -.030 .143 .0059 .0055 .0107 .0003 -.0019 -.0003 O2 .1047 .004 .429 .0073 .0078 .0083 -.0019 .0016 -.0006 O3 .359 .993 .247 .0067 .0042 .0118 -.0004 -.0017 .0001 O4 .224 .75 .305 .0076 .0034 .0082 0 -.0009 0 O5 .226 .25 .304 .0062 .0047 .0050 0 .0010 0 O6 .275 .75 .060 .0045 .0073 .0050 0 -.0009 0 O7 .999 .25 .175 .006 .0100 .0128 0 .0011 0 O8 .985 .75 .302 .008 .0126 .0141 0 -.0026 0 O9 .423 .75 .434 .019 .023 .0073 0 -.0002 0 O10 .270 .25 .067 .013 .0058 .0063 0 .0014 0 H .26 .25 .95 .050