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 HNF5CL5-9
Locality: Synthetic
_database_code_amcsd 0020115
9.5100 9.5100 6.8289 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      .01214 .01447 .01447 .00747 .00724      0      0
Ca3  .00350 .25496     .25      .01638 .01232 .02260 .01007 .00562      0      0
P    .96902 .59804     .25      .00846 .00711 .01009 .00806 .00420      0      0
O1   .15326 .66587     .25      .01408  .0078  .0203  .0138  .0068      0      0
O2   .87618 .41098     .25       .0180  .0139  .0105  .0264  .0037      0      0
O3    .9080  .6440   .0630  .70  .0162  .0108  .0262  .0113  .0091 -.0016  .0056
O3'   .9302  .6752   .0849  .30  .0162  .0108  .0262  .0113  .0091 -.0016  .0056
Cl        0      0       0 .078   .020
ClB       0      0   .0856 .129  .0121
F         0      0     .25 .402  .0134
FB        0      0   .1668 .181  .0049
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