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Bartonite |
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Evans H T, Clark J R |
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American Mineralogist 66 (1981) 376-384 |
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The crystal structure of bartonite, a potassium iron sulfide, and its |
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relationship to pentlandite and djerfisherite |
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_database_code_amcsd 0000824 |
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10.424 10.424 20.626 90 90 90 I4/mmm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .2996 0 0 .920 0.0034 0.0037 0.0035 0 0 0 |
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K2 0 0 .1539 0.0030 0.0030 0.0029 0 0 0 |
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Fe1 .1299 .3687 .1841 .841 0.0016 0.0018 0.0018 -.0001 0.0001 -.0002 |
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Fe2 .3688 .3688 .0659 .864 0.0018 0.0018 0.0015 0.0001 0.0001 0.0001 |
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S1 .2307 .2307 .1159 0.0022 0.0022 0.0015 0.0003 0.0003 0.0003 |
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S2 0 .2495 .2510 0.0026 0.0010 0.0021 0 0 0 |
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S3 .2506 .5 0 0.0018 0.0023 0.0014 0 0 0 |
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S4 0 .5 .1237 0.0019 0.0023 0.0015 0 0 0 |
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S5 0 0 .3726 0.0022 0.0022 0.0021 0 0 0 |
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S6 0 0 0 .925 0.0031 0.0031 0.0038 0 0 0 |
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