Fairfieldite
Herwig S, Hawthorne F C
The Canadian Mineralogist 44 (2006) 1181-1196
The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
Locality: Foote mine, North Carolina, USA
_database_code_amcsd 0006119
5.795 6.576 5.496 102.39 108.63 90.29 P-1
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX   .6010 .2337 .3329     .0091  .0093  .0090  .0086  .0002  .0030  .0012
MnM       0     0     0 .73 .0095  .0095  .0105  .0071  .0005  .0020 -.0001
MgM       0     0     0 .01 .0095  .0095  .0105  .0071  .0005  .0020 -.0001
FeM       0     0     0 .23 .0095  .0095  .0105  .0071  .0005  .0020 -.0001
PT    .2452 .2324 .6475     .0070  .0083  .0065  .0059  .0004  .0017  .0018
O1    .2451 .0693 .3961     .0111  .0129  .0108  .0078 -.0004  .0030 -.0007
O2    .3050 .1179 .8781     .0101  .0117  .0105  .0086  .0009  .0024  .0048
O3    .0021 .3271 .6145     .0106  .0097  .0103  .0114  .0020  .0024  .0032
O4    .4545 .3994 .6957     .0100  .0106  .0081  .0110 -.0007  .0034  .0021
OW   -.1529 .2999 .0674     .0119  .0154  .0102  .0090  .0011  .0029  .0015
H1    -.277  .346 -.071      .052
H2    -.072  .432  .181      .054