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Aikinite |
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Kohatsu I, Wuensch B J |
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Acta Crystallographica B27 (1971) 1245-1252 |
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The crystal structure of aikinite, PbCuBiS3 |
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Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso |
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_database_code_amcsd 0009395 |
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11.608 4.0279 11.275 90 90 90 Pnma |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb .3332 .25 .4880 2.70 .0120 .0034 .00284 0 -.0087 0 |
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Cu .2320 .25 .2081 2.69 .0032 .0478 .0064 0 -.0001 0 |
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Bi .0185 .25 .6812 1.43 .0016 .0182 .0044 0 .0002 0 |
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S1 .0454 .25 .1373 1.52 .0026 .0255 .0029 0 .0009 0 |
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S2 .3795 .25 .0553 1.30 .0013 .0096 .0051 0 .0007 0 |
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S3 .2146 .25 .8036 .84 .0027 .0083 .0011 0 .0002 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Aikinite |
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Ohmasa M, Nowacki W |
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Zeitschrift fur Kristallographie 132 (1970) 71-86 |
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A redetermination of the crystal structure of aikinite [BiS2|S|CuIVPbVII] |
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Locality: Beresowsk, Ural |
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_database_code_amcsd 0010716 |
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11.638 4.039 11.319 90 90 90 Pnma |
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atom x y z Biso |
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Bi .0189 1/4 0.6827 2.53 |
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S1 .7160 1/4 0.6986 1.87 |
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S2 .0467 1/4 0.1400 2.11 |
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S3 .3775 1/4 0.0559 2.10 |
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Cu .2338 1/4 0.2085 3.75 |
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Pb .8329 1/4 0.0105 3.13 |
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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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