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Orcelite |
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Bindi L, Tredoux M, Zaccarini F, Miller D E, Garuti G |
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Journal of Alloys and Compounds 601 (2014) 175-178 |
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Non-stoichiometric nickel arsenides in nature: The structure of orcelite, |
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Ni5-xAs2 (x = 0.25), from the Bon Accord oxide body, South Africa |
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Locality: Bon Accord oxide body, South Africa |
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_database_code_amcsd 0020966 |
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6.7922 6.7922 12.4975 90 90 120 P6_3cm |
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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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Ni1 0 0 .9475 .0125 .014 .014 .010 .0068 0 0 |
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Ni2 1/3 2/3 .0998 .0120 .0122 .0122 .012 .0061 0 0 |
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Ni3 .2435 0 .1218 .0126 .0121 .013 .0130 .0064 .0009 0 |
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Ni4 .6304 0 .2142 .0122 .0108 .013 .013 .0065 .0004 0 |
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Ni5 .3118 0 .3213 .0119 .0123 .0125 .0110 .0062 .0000 0 |
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Ni6 .6123 0 .4396 .75 .0125 .011 .016 .012 .0079 .0014 0 |
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As1 0 0 .2501 .94 .0114 .012 .012 .0109 .0058 0 0 |
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Sb1 0 0 .2501 .06 .0114 .012 .012 .0109 .0058 0 0 |
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As2 1/3 2/3 .2977 .0138 .0137 .014 .0138 .0069 0 0 |
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As3 .6693 0 .0234 .95 .0133 .0134 .0147 .0123 .0073 .0004 0 |
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Fe3 .6693 0 .0234 .05 .0133 .0134 .0147 .0123 .0073 .0004 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 (permalink) |
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Orcelite |
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El-Boragy M, Bhan S, Schubert K |
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Journal of the Less-Common Metals 22 (1970) 445-458 |
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Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten |
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Locality: synthetic |
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_database_code_amcsd 0014135 |
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6.825 6.825 12.513 90 90 120 P6_3cm |
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atom x y z Biso |
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Ni1 0 0 .948 1.99 |
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Ni2 1/3 2/3 .100 2.82 |
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Ni3 .244 0 .122 .94 |
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Ni4 .630 0 .215 1.23 |
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Ni5 .312 0 .320 4.47 |
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Ni6 .614 0 .440 5.9 |
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As1 0 0 .256 .41 |
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As2 1/3 2/3 .298 .36 |
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As3 .670 0 .023 1.15 |
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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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