Fluorapatite
Baikie T, Schreyer M K, Wong C L, Pramana S S, Klooster W T, Ferraris C,
McIntyre G J, White T J
American Mineralogist 97 (2012) 1574-1581
A multi-domain gem-grade Brazilian apatite
Note: single-crystal neutron at T = 130 K
Locality: Ipira, Bahia Province, Brazil
_database_code_amcsd 0019531
9.3687 9.3687 6.8739 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)
CaAF   1/3    2/3 -.0013 .987 .0084  .0075  .0075  .0102  .0037      0      0
NaAF   1/3    2/3 -.0013 .013 .0084  .0075  .0075  .0102  .0037      0      0
CaAT .2438 -.0065    1/4      .0018  .0041  .0010  .0020  .0001      0      0
PB   .3986  .3690    1/4 .948 .0074  .0070  .0099  .0054  .0056      0      0
SiB  .3986  .3690    1/4 .030 .0074  .0070  .0099  .0054  .0056      0      0
SB   .3986  .3690    1/4 .022 .0074  .0070  .0099  .0054  .0056      0      0
O1   .3267  .4838    1/4      .0084  .0122  .0087  .0044  .0068      0      0
O2   .5880  .4662    1/4      .0107  .0055  .0099  .0165  .0032      0      0
O3   .3417  .2565  .0702      .0135  .0187  .0106  .0112  .0099 -.0059 -.0025
F4       0      0    .25  .76 .0051
Cl4      0      0    .25  .06 .0051
O4       0      0   .316  .09 .0051
H4       0      0   .472  .09 .0061