Seamanite
Huminicki D M C, Hawthorne F C
The Canadian Mineralogist 40 (2002) 923-928
Hydrogen bonding in the crystal structure of seamanite
Locality: Chicagon mine, Iron County, Michigan, USA
_database_code_amcsd 0005774
7.8231 15.1405 6.6999 90 90 90 Pbnm
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn(1) .27819 .47584    .25     .0114  .0128  .0112  .0103  .0114  .0005      0
Mn(2) .35076 .64067 .50166     .0116  .0143  .0112  .0093  .0116  .0003  .0004
P     .69328 .55408    .25     .0072  .0078  .0069  .0078  .0072 -.0006      0
B      .0071  .3151    .25     .0110  .0099  .0091  .0139  .0110 -.0003      0
O(1)   .4608  .3688    .25     .0135  .0126  .0132  .0145  .0135 -.0002      0
O(2)   .1866  .6162    .25     .0135  .0106  .0172  .0128  .0135 -.0032      0
O(3)   .0393  .4094    .25     .0148  .0208  .0122  .0115  .0148  .0019 -.0022
O(4)  -.1846  .3027    .25     .0121  .0102  .0102  .0158  .0121  .0012  .0093
O(5)   .0812  .2733  .0734     .0159  .0113  .0090  .0275  .0159  .0002  .0023
O(6)   .7244  .4964  .0646     .0179  .0247  .0131  .0160  .0179  .0050  .0032
O(7)   .5040  .5846    .25     .0136  .0154  .0110  .0143  .0136  .0031 -.0009
O(8)   .8110  .6348    .25     .0129  .0105  .0151  .0130  .0129 -.0005  .0121
H(1)    .399   .314   .218  .5 .0436
H(2)    .0616  .621    .25     .0391
H(3)   -.041   .446   .327  .5 .0458
H(4)   -.216  .2400    .25     .0713
H(5)    .101   .317  -.031     .0561