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: HNF5CL5-10
Locality: Synthetic
_database_code_amcsd 0020116
9.5084 9.5084 6.82930 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 .99782      .01217 .01451 .01451 .00750 .00725      0      0
Ca2  .00349 .25495    .25      .01644 .01235 .02266 .01014 .00563      0      0
P    .96902 .59804    .25      .00849 .00719 .01007 .00810 .00424      0      0
O1   .15333 .66592    .25      .01409  .0077  .0201  .0141  .0067      0      0
O2   .87619 .41100    .25       .0180  .0140  .0105  .0262  .0037      0      0
O3    .9079  .6441  .0629  .70  .0163  .0108  .0268  .0111  .0093 -.0017  .0054
O3'   .9300  .6746  .0852  .30  .0163  .0108  .0268  .0111  .0093 -.0017  .0054
Cl        0      0      0 .076   .019
ClB       0      0  .0854 .128  .0123
F         0      0    .25 .397  .0127
FB        0      0  .1671 .183  .0054
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