Seamanite
Moore P B, Ghose S
American Mineralogist 56 (1971) 1527-1538
A novel face-sharing octahedral trimer in the crystal structure of seamanite
_database_code_amcsd 0000258
7.811 15.114 6.691 90 90 90 Pbnm
atom x y z Biso
Mn1 .2783 .4758 .25 .53
Mn2 .3507 .6406 .5016 .58
P .6931 .5542 .25 .30
B .0072 .3146 .25 .63
OH1 .4615 .3688 .25 .91
OH2 .1862 .6165 .25 .80
OH3 .0399 .4099 .25 1.01
OH4 -.1846 .3027 .25 .69
OH5 .0810 .2739 .0742 1.12
O6 .7246 .4961 .0648 .91
O7 .5042 .5845 .25 .90
O8 .8112 .6340 .25 .96
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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
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