Ludlamite
Abrahams S C, Bernstein J L
Journal of Chemical Physics 44 (1966) 2223-2229
Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K
Sample: T = 298 K
_database_code_amcsd 0012981
10.541 4.646 9.324 90 100.430 90 P2_1/a
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Fe1       0      0      0      .00164 .00875 .00193      0 .00037       0
Fe2  .17324 .06801 .32881      .00146 .00959 .00225 .00032 .00040  .00015
P    .45353 .96908 .23790      .00118 .00713 .00181 .00013 .00036 -.00004
O1    .0345  .7847  .1976       .0021  .0102  .0026 -.0008  .0005   .0007
O2    .4087  .1565  .1007       .0017  .0102  .0025 -.0002  .0005   .0009
O3    .3326  .8543  .2907       .0017  .0090  .0030 -.0003  .0009   .0006
O4    .0357  .3518  .3588       .0019  .0114  .0024  .0010  .0003   .0008
O5    .1708  .2422  .1019       .0016  .0119  .0034  .0003  .0006   .0013
O6    .3282  .3873  .4563       .0022  .0121  .0030  .0002  .0006  -.0004
H1     .149   .414   .059  2.5
H2     .244   .161   .094  2.5
H3     .341   .567   .398  2.5
H4     .377   .287   .453  2.5