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: synthetic
_database_code_amcsd 0002812
9.4434 9.4434 6.8855 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  .2423 .2511     0 .72  .0141  .0124  .0108   .0215  .0078      0      0
Na1  .2423 .2511     0 .28  .0141  .0124  .0108   .0215  .0078      0      0
Ca2  .9856 .2715   1/2 .23  .0349  .0204  .0435   .0250  .0041      0      0
Na2  .9856 .2715   1/2 .77  .0349  .0204  .0435   .0250  .0041      0      0
Ca3    1/3   2/3 .7500 .03  .0229  .0261  .0261   .0166  .0131      0      0
Na3    1/3   2/3 .7500 .97  .0229  .0261  .0261 .016626  .0131      0      0
Ca4    2/3   1/3 .2595 .10  .0237  .0231  .0231   .0249  .0115      0      0
Na4    2/3   1/3 .2595 .90 .02368  .0231  .0231   .0249  .0115      0      0
S1   .9746 .3678     0      .0097  .0074  .0114   .0145  .0028      0      0
S2   .0255 .6438   1/2      .0119  .0063  .0083   .0122  .0020      0      0
O1   .1538 .4680     0      .0187  .0083  .0150   .0288  .0028      0      0
O2   .8488 .5272   1/2      .0197  .0051  .0137   .0315 -.0018      0      0
O3   .9012 .4701     0      .0428  .0258  .0236   .0867  .0182      0      0
O4   .1148 .5568   1/2      .0424  .0144  .0277   .0910  .0150      0      0
O5   .0727 .7495 .6712      .0509  .0293  .0407   .0402 -.0145  .0187 -.0308
O6   .9171 .2620 .8294      .0401  .0324  .0340   .0191 -.0096  .0104 -.0157
OH7      0     0 .4203 .14  .0403
OH8      0     0 .0695 .42  .0151