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Seamanite |
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Moore P B, Ghose S |
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American Mineralogist 56 (1971) 1527-1538 |
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A novel face-sharing octahedral trimer in the crystal structure of seamanite |
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_database_code_amcsd 0000258 |
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7.811 15.114 6.691 90 90 90 Pbnm |
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atom x y z Biso |
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Mn1 .2783 .4758 .25 .53 |
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Mn2 .3507 .6406 .5016 .58 |
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P .6931 .5542 .25 .30 |
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B .0072 .3146 .25 .63 |
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OH1 .4615 .3688 .25 .91 |
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OH2 .1862 .6165 .25 .80 |
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OH3 .0399 .4099 .25 1.01 |
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OH4 -.1846 .3027 .25 .69 |
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OH5 .0810 .2739 .0742 1.12 |
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O6 .7246 .4961 .0648 .91 |
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O7 .5042 .5845 .25 .90 |
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O8 .8112 .6340 .25 .96 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Seamanite |
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Huminicki D M C, Hawthorne F C |
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The Canadian Mineralogist 40 (2002) 923-928 |
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Hydrogen bonding in the crystal structure of seamanite |
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Locality: Chicagon mine, Iron County, Michigan, USA |
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_database_code_amcsd 0005774 |
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7.8231 15.1405 6.6999 90 90 90 Pbnm |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn(1) .27819 .47584 .25 .0114 .0128 .0112 .0103 .0114 .0005 0 |
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Mn(2) .35076 .64067 .50166 .0116 .0143 .0112 .0093 .0116 .0003 .0004 |
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P .69328 .55408 .25 .0072 .0078 .0069 .0078 .0072 -.0006 0 |
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B .0071 .3151 .25 .0110 .0099 .0091 .0139 .0110 -.0003 0 |
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O(1) .4608 .3688 .25 .0135 .0126 .0132 .0145 .0135 -.0002 0 |
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O(2) .1866 .6162 .25 .0135 .0106 .0172 .0128 .0135 -.0032 0 |
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O(3) .0393 .4094 .25 .0148 .0208 .0122 .0115 .0148 .0019 -.0022 |
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O(4) -.1846 .3027 .25 .0121 .0102 .0102 .0158 .0121 .0012 .0093 |
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O(5) .0812 .2733 .0734 .0159 .0113 .0090 .0275 .0159 .0002 .0023 |
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O(6) .7244 .4964 .0646 .0179 .0247 .0131 .0160 .0179 .0050 .0032 |
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O(7) .5040 .5846 .25 .0136 .0154 .0110 .0143 .0136 .0031 -.0009 |
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O(8) .8110 .6348 .25 .0129 .0105 .0151 .0130 .0129 -.0005 .0121 |
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H(1) .399 .314 .218 .5 .0436 |
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H(2) .0616 .621 .25 .0391 |
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H(3) -.041 .446 .327 .5 .0458 |
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H(4) -.216 .2400 .25 .0713 |
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H(5) .101 .317 -.031 .0561 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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