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Kulanite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 32 (1994) 15-19 |
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Refinement of the crystal structure of kulanite |
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Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006 |
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Locality: Rapid Creek, Yukon, Canada |
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_database_code_amcsd 0005343 |
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9.014 12.074 4.926 90 100.48 90 P2_1/m |
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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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Ba .54695 .75 .74102 .0081 .0090 .0075 0 .0011 0 |
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FeM1 .29518 -.11021 .2092 .59 .0078 .0074 .0080 .0001 .0006 -.0006 |
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MnM1 .29518 -.11021 .2092 .04 .0078 .0074 .0080 .0001 .0006 -.0006 |
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MgM1 .29518 -.11021 .2092 .31 .0078 .0074 .0080 .0001 .0006 -.0006 |
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AlM2 .0914 .40046 .1287 .94 .0062 .0063 .0056 -.0004 .0004 0 |
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FeM2 .0914 .40046 .1287 .06 .0062 .0063 .0056 -.0004 .0004 0 |
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P1 .1559 .75 .6860 .0066 .0063 .0053 0 .0007 0 |
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P2 .33261 .44177 .7046 .0067 .0066 .0056 .0004 .0006 .0006 |
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H1 .117 .228 -.186 .5 .01 |
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H2 .034 .599 .346 .01 |
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O1 .2781 .75 .9471 .0089 .0125 .0061 0 -.0007 0 |
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O2 .2313 .75 .4325 .0109 .0098 .0066 0 .0026 0 |
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O3 .0595 .6453 .6865 .0107 .0088 .0098 -.0037 .0030 -.0013 |
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O4 .3679 .5565 .6099 .0132 .0082 .0098 -.0010 .0021 .0024 |
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O5 .2581 .4521 .9668 .0116 .0141 .0059 -.0009 .0034 -.0009 |
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O6 .2266 .3810 .4700 .0132 .0115 .0082 -.0008 -.0026 -.0011 |
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O7 .4737 .3700 .7881 .0080 .0115 .0129 .0038 .0012 .0028 |
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O8 .1236 .25 .0067 .0125 .0114 .0049 0 .0001 0 |
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O9 .0593 .5572 .1907 .0111 .0102 .0063 -.0007 .0006 -.0031 |
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View JMOL 3-D Structure (permalink) |
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