Baricite
Yakubovich O V, Massa W, Liferovich R P, McCammon C A
The Canadian Mineralogist 39 (2001) 1317-1324
The crystal structure of baricite, (Mg1.70Fe1.30)(PO4)2.8H2O
_database_code_amcsd 0005742
10.085 13.390 4.6713 90 104.96 90 C2/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)
Fe(1)      .0     .0     .5  .63 .0111  .0081  .0138  .0103     .0  .0005     .0
Mg(1)      .0     .0     .5  .37 .0111  .0081  .0138  .0103     .0  .0005     .0
Fe(2)      .5 .11050     .5 .335 .0109  .0094  .0122  .0105     .0  .0018     .0
Mg(2)      .5 .11050     .5 .665 .0109  .0094  .0122  .0105     .0  .0018     .0
P      .68507     .0 .11955      .0107  .0084  .0130  .0101     .0  .0014     .0
O(1)   -.3946     .0 -.2084      .0133  .0107  .0158  .0125     .0  .0012     .0
O(2)   -.1582     .0  .1307      .0137  .0097  .0177  .0131     .0  .0020     .0
O(3)  -.65471 .09621 -.2743      .0135  .0126  .0141  .0132  .0008  .0025  .0012
OW(4)  .10049 .11636  .3037      .0158  .0127  .0188  .0152  .0001  .0021 -.0003
OW(5) -.60123 .22338 -.7828      .0184  .0211  .0171  .0170  .0008  .0049  .0003
H(1)     .134   .094   .152       .022
H(2)    -.554   .280  -.794       .030
H(3)     .180   .122   .439       .031
H(4)    -.623   .203  -.958       .034