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