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: Zo3, X(Fe/(Fe+Al-2)) = 0.0
_database_code_amcsd 0002855
16.1913 5.5488 10.0320 90 90 90 Pnma
atom       x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1   .3666   .25 .4376       .0074  .0098  .0069      0  .0009      0
CaA2   .4521   .25 .1130       .0125  .0110  .0077      0 -.0001      0
AlM1,2 .2498 .9972 .1905       .0047  .0040  .0060 -.0001  .0002 -.0003
AlM3   .1057   .75 .3013       .0035  .0061  .0074      0 -.0005      0
SiT1   .0817   .25 .1054       .0039  .0043  .0053      0 -.0006      0
SiT2   .4101   .75 .2816       .0044  .0049  .0051      0 -.0003      0
SiT3   .1605   .25 .4349       .0049  .0043  .0047      0  .0005      0
O1     .1303 -.004 .1434       .0059  .0055  .0107  .0003 -.0019 -.0003
O2     .1018 .0112 .4288       .0073  .0078  .0083 -.0019  .0016 -.0006
O3     .3601  .992 .2439       .0067  .0042  .0118 -.0004 -.0017  .0001
O4     .2212   .75 .3016       .0076  .0034  .0082      0 -.0009      0
O5     .2265   .25 .3115       .0062  .0047  .0050      0  .0010      0
O6     .2724   .75 .0600       .0045  .0073  .0050      0 -.0009      0
O7     .9892   .25 .1636        .006  .0100  .0128      0  .0011      0
O8     .9985   .75 .2965        .008  .0126  .0141      0 -.0026      0
O9     .4190   .75 .4425        .019   .023  .0073      0 -.0002      0
O10    .2676   .25 .0741        .013  .0058  .0063      0  .0014      0
H        .26   .25   .95 .050