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Miharaite |
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Petrova I V, Pobedimskaya E A, Bryzgalov I A |
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Doklady Akademii Nauk SSSR 299 (1988) 123-127 |
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Crystal structure of micharaite Cu4FePbBiS6 |
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_database_code_amcsd 0012478 |
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10.880 12.003 3.874 90 90 90 Pb2_1m |
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atom x y z Biso |
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Pb .3106 .2800 .5 1.44 |
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Cu1 .0203 .2706 .5 1.2 |
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Cu2 .4852 .0697 0 1.4 |
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Cu3 .3821 .8403 .5 2.0 |
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Cu4 .2126 .5429 .5 2.0 |
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Fe .2889 .6825 0 1.0 |
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Bi .1461 0 0 1.64 |
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S1 .193 .747 .5 1.0 |
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S2 .020 .461 .5 .9 |
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S3 .481 .763 0 1.2 |
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S4 .319 .487 0 1.1 |
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S5 .114 .203 0 1.1 |
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S6 .367 .030 .5 1.2 |
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| Download AMC data (View Text File)
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Chvilevaite |
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Kaplunnik L N, Petrova I V, Pobedimskaya E A, Kachalovskaya V M, Osipov B S |
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Soviet Physics Doklady 35 (1990) 6-8 |
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Crystal structure of natural alkaline sulfide, chvilevaite, Na(Cu,Fe,Zn)2S2 |
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Locality: Lake Baikal region, Russia |
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_database_code_amcsd 0015619 |
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3.873 3.873 6.848 90 90 120 P3m1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na 1/3 2/3 .738 .70 .015555 .015555 .001706 .007778 0 0 |
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CuM1 2/3 1/3 .1094 .67 1.33 .029555 .029555 .008743 .014778 0 0 |
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FeM1 2/3 1/3 .1094 .22 1.33 .029555 .029555 .008743 .014778 0 0 |
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ZnM1 2/3 1/3 .1094 .11 1.33 .029555 .029555 .008743 .014778 0 0 |
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CuM2 0 0 .3557 .67 .83 .018444 .018444 .005278 .009222 0 0 |
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FeM2 0 0 .3557 .22 .83 .018444 .018444 .005278 .009222 0 0 |
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ZnM2 0 0 .3557 .11 .83 .018444 .018444 .005278 .009222 0 0 |
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S1 0 0 0 .50 .011111 .011111 .002772 .005556 0 0 |
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S2 2/3 1/3 .4629 1.12 .026444 .026444 .007037 .013222 0 0 |
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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
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