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 X-ray at T = 100 K
Locality: Ipira, Bahia Province, Brazil
_database_code_amcsd 0019532
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 .00111 .987 .00776  .0091  .0091  .0051 .00454      0      0
NaAF    1/3     2/3 .00111 .013 .00776  .0091  .0091  .0051 .00454      0      0
CaAT .24293 -.00716    1/4      .00724  .0080  .0066  .0070 .00355      0      0
PB   .39852  .36890    1/4 .948  .0057  .0066  .0058  .0056 .00381      0      0
SiB  .39852  .36890    1/4 .030  .0057  .0066  .0058  .0056 .00381      0      0
SB   .39852  .36890    1/4 .022  .0057  .0066  .0058  .0056 .00381      0      0
O1   .32624  .48413    1/4       .0081  .0099  .0072  .0092  .0057      0      0
O2   .58796  .46605    1/4       .0109  .0069  .0084  .0171  .0037      0      0
O3   .34215  .25650 .07012       .0129  .0216  .0110  .0094  .0106 -.0064 -.0035
F4        0       0    .25  .76  .0101
Cl4       0       0    .25  .06  .0101
OH4       0       0   .305  .09  .0101