American Mineralogist Crystal Structure Database

3 matching records for this search.

Cesanite
Download hom/cesanite.pdf
Piotrowski A, Kahlenberg V, Fischer R X, Lee Y, Parise J B
Download am/vol87/AM87_715.pdf
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
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Cesanite
Download hom/cesanite.pdf
Piotrowski A, Kahlenberg V, Fischer R X, Lee Y, Parise J B
Download am/vol87/AM87_715.pdf
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
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View JMOL 3-D Structure (permalink)
 
Cesanite
Download hom/cesanite.pdf
Tazzoli V
Download mm/vol47/MM47_59.pdf
Mineralogical Magazine 47 (1983) 59-63
The crystal structure of cesanite, Ca1+xNa4-x(SO4)3(OH)x*(1-x)H2O,
a sulphate isotypic of apatite
Locality: core samples of the Cesano I geothermal well, Cesano area, Latium, Italy
_database_code_amcsd 0014476
9.446 9.446 6.895 90 90 120 P6_3/m
atom     x     y      z  occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
Na1  .3333 .6667 -.0040 0.96 1.57 .006549 .006549 .006282 .003274        0        0
Ca1  .3333 .6667 -.0040 0.04 1.57 .006549 .006549 .006282 .003274        0        0
Na2  .9902 .2441    .25 0.47  .98 .002844 .004794 .004578 .001761        0        0
Ca2  .9902 .2441    .25 0.41  .98 .002844 .004794 .004578 .001761        0        0
Na2' .3124 .0206    .25 0.06 1.69
Ca2' .3124 .0206    .25 0.06 1.69
S    .3644 .3905    .25       .86 .003543 .004099 .003988 .002572        0        0
O1   .4721 .3198    .25      1.54 .005870 .007489 .009218 .005266        0        0
O2   .4604 .5692    .25      2.84 .009192 .004666 .024517 .003048        0        0
O3   .2581 .3365  .0785      2.48 .007980 .017631 .007426 .008784 -.003727 -.005715
Wat      0     0    .25 0.47 3.98 .007837 .007837 .040937 .003918        0        0
OH       0     0    .25 0.47 3.98 .007837 .007837 .040937 .003918        0        0
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Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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