Brandtite
Herwig S, Hawthorne F C
The Canadian Mineralogist 44 (2006) 1181-1196
The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
Locality: Harstig mine, Harstigen, Sweden
_database_code_amcsd 0006117
5.877 12.957 5.675 90 108.00 90 P2_1/c
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  .56763 .11965 .24347 .95  .0095  .0095  .0091  .0101 -.0011  .0034 -.0012
PbX  .56763 .11965 .24347 .05  .0095  .0095  .0091  .0101 -.0011  .0034 -.0012
MnM       0      0      0 .88  .0094  .0096  .0089  .0093 -.0009  .0023 -.0041
MgM       0      0      0 .10  .0094  .0096  .0089  .0093 -.0009  .0023 -.0041
FeM       0      0      0 .01  .0094  .0096  .0089  .0093 -.0009  .0023 -.0041
AsT  .22243 .12174 .57383     .00639 .00747 .00533 .00581 .00010 .00123 .00021
O1    .2445 .03619  .3558      .0119  .0128  .0120  .0111 -.0019  .0040 -.0061
O2    .2883 .05599  .8451      .0094  .0096  .0090  .0077 -.0000  .0000  .0034
O3    .9499 .17265  .5022      .0110  .0084  .0092  .0139  .0034  .0013  .0005
O4    .4404 .20712  .5795      .0099  .0098  .0084  .0112 -.0038  .0028 -.0010
OW    .8087 .14270  .9719      .0099  .0132  .0089  .0067 -.0020  .0018  .0005
H1     .685   .150   .811       .037
H2     .907   .205   .987       .028