American Mineralogist Crystal Structure Database

1 matching records for this search.

Fluorapatite
Download hom/fluorapatite.pdf
Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
McCubbin F M, Woerner W R
American Mineralogist 99 (2014) 369-376
Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
structure refinements of synthetic F-Cl apatite.
Note: Sample HNF5CL5
Locality: Synthetic
_database_code_amcsd 0020113
9.5104 9.5104 6.8311 90 90 120 P6_3/m
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     2/3    1/3 -.00218      .01209 .01440 .01440 .00749 .00720      0      0
Ca2  .00354 .25496     .25      .01637 .01227 .02261 .01011 .00562      0      0
P    .96903 .59805     .25      .00844 .00718 .01007 .00797 .00424      0      0
O1   .15329 .66594     .25      .01403  .0077  .0201  .0141  .0067      0      0
O2   .87623 .41095     .25       .0179  .0136  .0107  .0262  .0037      0      0
O3    .9080  .6442   .0630  .70  .0164  .0108  .0268  .0112  .0092 -.0016  .0056
O3'   .9300  .6745   .0851  .30  .0164  .0108  .0268  .0112  .0092 -.0016  .0056
Cl        0      0       0 .078   .021
ClB       0      0   .0859 .127  .0116
F         0      0     .25 .399  .0132
FB        0      0   .1670 .187  .0059
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