Cesanite
Piotrowski A, Kahlenberg V, Fischer R X, Lee Y, Parise J B
American Mineralogist 87 (2002) 715-720
The crystal structures of cesanite and its synthetic analogue -
A comparison
Sample: natural
_database_code_amcsd 0002813
9.4630 9.4630 6.9088 90 90 120 P-6
atom     x     y     z occ  Uiso U(1,1) U(2,2)  U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .2512 .2644     0 .71 .0401  .0526  .0634   .0258  .0442      0      0
Na1  .2512 .2644     0 .29 .0401  .0526  .0634   .0258  .0442      0      0
Ca2  .9913 .2428   1/2 .17 .0140  .0118  .0185   .0142  .0095      0      0
Na2  .9913 .2428   1/2 .83 .0140  .0118  .0185   .0142  .0095      0      0
Ca3    1/3   2/3 .7539 .17 .0296  .0312  .0312   .0263  .0156      0      0
Na3    1/3   2/3 .7539 .83 .0296  .0312  .0312   .0263  .0156      0      0
Na4    2/3   1/3 .2537     .0282  .0323  .0323   .0201  .0162      0      0
S1   .9736 .3645     0     .0198  .0203  .0197   .0181  .0092      0      0
S2   .0260 .6357   1/2     .0185  .0145  .0217   .0158  .0065      0      0
O1   .1525 .4732     0     .0255  .0098  .0157   .0357 -.0050      0      0
O2   .8484 .5291   1/2     .0305  .0296  .0401   .0238  .0190      0      0
O3   .8928 .4606     0     .0535  .0423  .0526   .0845  .0378      0      0
O4   .1119 .5408   1/2     .0390  .0254  .0335   .0559  .0130      0      0
O5   .0777 .7427 .6698     .0419  .0390  .0370   .0244  .0000  .0058 -.0098
O6   .9297 .2587 .8280     .0387  .0324  .0348   .0266  .0000  .0077 -.0097
OH7      0     0 .4579 .59 .0345
OH8      0     0     0 .59 .0282