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 HNF5CL5-8
Locality: Synthetic
_database_code_amcsd 0020114
9.5101 9.5101 6.83000 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      .01339 .01578 .01578 .00861 .00789      0      0
Ca2  .00352 .25495     .25      .01767 .01366 .02398 .01123 .00630      0      0
P    .96900 .59804     .25      .00975 .00853 .01141 .00918 .00489      0      0
O1   .15326 .66591     .25      .01538  .0094  .0215  .0149  .0075      0      0
O2   .87623 .41101     .25       .0192  .0151  .0120  .0272  .0043      0      0
O3    .9070  .6425   .0629  .66  .0169  .0112  .0248  .0135  .0082 -.0013  .0053
O3'   .9293  .6745   .0823  .34  .0169  .0112  .0248  .0135  .0082 -.0013  .0053
Cl        0      0       0 .081   .025
ClB       0      0   .0865 .131  .0139
F         0      0     .25 .406  .0150
FB        0      0   .1678 .180  .0060
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