American Mineralogist Crystal Structure Database

4 matching records for this search.

Ca10(PO4)6S
 
Henning P A, Adolfsson E, Grins J
 
Zeitschrift fur Kristallographie 215 (2000) 226-230
The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
Locality: synthetic
_database_code_amcsd 0019723
9.4619 9.4619 6.8342 90 90 120 P-3
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca11   1/3   2/3 .0187      .017   .020   .020   .009  .0102      0      0
Ca12   1/3   2/3 .5118      .015   .015   .015   .015  .0076      0      0
Ca2  .2465 .9883 .2530     .0176   .020   .019   .013  .0095  .0011  .0020
P    .3999 .3709 .2480      .014   .020   .014   .009   .009   .001  .0001
O1   .3279 .4844 .2558      .016   .016   .022   .012   .012   .005  -.001
O2   .5841 .4680  .199      .022   .006   .022   .034   .004   .008   .008
O31  .3061 .2389  .093      .028   .048   .016   .022   .020  -.019  -.012
O32  .3842 .2854 .4437      .021   .030   .029   .011   .020   .005   .005
S1       0     0    .5 .94  .011   .004   .004   .023  .0022      0      0
S2       0     0     0 .06  .011   .004   .004   .023  .0022      0      0
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View JMOL 3-D Structure (permalink)
 
Ca10(PO4)6Se
 
Henning P A, Adolfsson E, Grins J
 
Zeitschrift fur Kristallographie 215 (2000) 226-230
The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
Locality: synthetic
_database_code_amcsd 0019724
9.5007 9.5007 6.8406 90 90 120 P-3
atom     x     y     z  Uiso
Ca11   1/3   2/3 .0221 .0035
Ca12   1/3   2/3 .5098 .0035
Ca2  .2497 .9864 .2500 .0035
P    .4001 .3712 .2476 .0078
O1   .3257 .4871 .2505  .009
O2   .5855 .4685 .1926  .009
O31  .3023 .2340 .0952  .009
O32  .3920 .2918 .4468  .009
Se       0     0    .5 .0054
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sr10(PO4)6S
 
Henning P A, Adolfsson E, Grins J
 
Zeitschrift fur Kristallographie 215 (2000) 226-230
The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
Locality: synthetic
_database_code_amcsd 0019725
9.8077 9.8077 7.2089 90 90 120 P-3
atom      x      y      z   Uiso
Sr11    1/3    2/3  .0215 .00702
Sr12    1/3    2/3  .5162 .00702
Sr2  .24561 .98698 .25788 .00702
P     .3982  .3697  .2475  .0038
O1    .3313  .4823  .2662  .0126
O2    .5809  .4623  .2111  .0126
O31   .3077  .2431  .0906  .0126
O32   .3765  .2820  .4309  .0126
S         0      0     .5  .0113
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba10(PO4)6S
 
Henning P A, Adolfsson E, Grins J
 
Zeitschrift fur Kristallographie 215 (2000) 226-230
The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
Locality: synthetic
_database_code_amcsd 0019726
10.252 10.252 7.659 90 90 120 P-3
atom      x      y     z  Uiso
Ba11    1/3    2/3 .0142 .0123
Ba12    1/3    2/3 .5106 .0123
Ba2  .24505 .98244 .2606 .0123
P     .4010  .3722 .2304 .0074
O1    .3536  .4837  .302  .038
O2    .5725  .4451  .199  .038
O31    .344  .2452  .094  .038
O32    .337  .2881 .4032  .038
S         0      0    .5  .006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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