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Magnesite |
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Oh K D, Morikawa H, Iwai S I, Aoki H |
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American Mineralogist 58 (1973) 1029-1033 |
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The crystal structure of magnesite |
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_database_code_amcsd 0000389 |
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4.637 4.637 15.023 90 90 120 R-3c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg 0 0 0 .0063 .0063 .00060 .00315 0 0 |
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C 0 0 .25 .0072 .0072 .00052 .0036 0 0 |
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O .2767 0 .25 .0059 .0091 .00083 .00455 -.000135 -.00027 |
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Barite |
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Miyake M, Minato I, Morikawa H, Iwai S I |
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American Mineralogist 63 (1978) 506-510 |
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Crystal structure and sulphate force constants of barite, celesite, and |
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anglesite |
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_database_code_amcsd 0000662 |
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7.157 8.884 5.457 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba .1585 .1845 .25 .0042 .0027 .0087 -.0002 0 0 |
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S .1911 .4375 .75 .0037 .0028 .0062 -.0001 0 0 |
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O1 .1060 .5878 .75 .0090 .0043 .0170 .0026 0 0 |
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O2 .0494 .3177 .75 .0039 .0088 .0140 -.0030 0 0 |
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O3 .3114 .4199 .9702 .0054 .0048 .0071 -.0003 -.0012 .0001 |
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Baryte |
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Miyake M, Minato I, Morikawa H, Iwai S I |
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American Mineralogist 63 (1978) 506-510 |
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Crystal structure and sulphate force constants of barite, celesite, and |
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anglesite |
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_database_code_amcsd 0000663 |
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7.157 8.884 5.457 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ba .1585 .1845 .25 .0042 .0027 .0087 -.0002 0 0 |
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S .1911 .4375 .75 .0037 .0028 .0062 -.0001 0 0 |
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O1 .1060 .5878 .75 .0090 .0043 .0170 .0026 0 0 |
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O2 .0494 .3177 .75 .0039 .0088 .0140 -.0030 0 0 |
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O3 .3114 .4199 .9702 .0054 .0048 .0071 -.0003 -.0012 .0001 |
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Celestine |
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Miyake M, Minato I, Morikawa H, Iwai S I |
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American Mineralogist 63 (1978) 506-510 |
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Crystal structure and sulphate force constants of barite, celestite, and |
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anglesite |
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_database_code_amcsd 0000664 |
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6.870 8.371 5.355 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sr .1583 .1839 .25 .0034 .0023 .0105 -.0001 0 0 |
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S .1853 .4382 .75 .0020 .0023 .0060 -.0001 0 0 |
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O1 .0930 .5942 .75 .0100 .0027 .0230 .0035 0 0 |
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O2 .0419 .3075 .75 .0048 .0049 .0170 -.0031 0 0 |
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O3 .3108 .4217 .9746 .0051 .0044 .0080 -.0008 -.0028 .0001 |
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Anglesite |
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Miyake M, Minato I, Morikawa H, Iwai S I |
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American Mineralogist 63 (1978) 506-510 |
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Crystal structure and sulphate force constants of barite, celesite, and |
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anglesite |
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_database_code_amcsd 0000665 |
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6.959 8.482 5.398 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb .1667 .1879 .25 .0072 .0039 .0166 .0004 0 0 |
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S .1842 .4367 .75 .0035 .0025 .0070 -.0003 0 0 |
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O1 .096 .592 .75 .008 .004 .025 .003 0 0 |
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O2 .043 .306 .75 .005 .004 .027 -.002 0 0 |
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O3 .309 .418 .974 .007 .006 .008 -.001 -.001 -.001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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