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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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Gladite |
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Kohatsu I, Wuensch B J |
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Acta Crystallographica B32 (1976) 2401-2409 |
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The crystal structure of gladite, PbCuBi5S9, a superstructure intermediate in |
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the series Bi2S3-PbCuBiS3 (bismuthinite-aikinite) |
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_database_code_amcsd 0009571 |
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33.531 11.486 4.003 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb .3349 .3174 .25 .00020 .0028 .02 -.00022 0 0 |
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Cu .2390 .2200 .25 .00012 .0005 .006 .00002 0 0 |
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Bi1 .0565 .0209 .25 .00025 .0020 .011 .0001 0 0 |
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Bi2 .3924 .0056 .25 .00030 .0027 .016 .00007 0 0 |
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Bi3 .7294 .0283 .25 .00045 .0016 .01 -.00005 0 0 |
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Bi4 .6550 .3542 .25 .00034 .0033 .019 .00018 0 0 |
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Bi5 .9866 .3430 .25 .00019 .0025 .019 .00002 0 0 |
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S1 .2095 .0354 .25 .00019 .0014 .01 -.00011 0 0 |
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S2 .5415 .0552 .25 .00041 .0031 .03 -.00008 0 0 |
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S3 .8804 .0565 .25 .00022 .0027 .02 .00007 0 0 |
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S4 .1855 .3786 .25 .00008 .0011 .011 .00004 0 0 |
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S5 .5172 .3760 .25 .00026 .0028 .022 .00004 0 0 |
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S6 .8511 .3917 .25 .00046 .0035 .02 -.00016 0 0 |
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S7 .1006 .2158 .25 .00001 .0005 .001 -.00004 0 0 |
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S8 .4344 .2038 .25 .00039 .0034 .039 -.00006 0 0 |
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S9 .7669 .2290 .25 .00045 .0037 .028 .00006 0 0 |
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Nuffieldite |
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Kohatsu I, Wuensch B J |
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Zeitschrift fur Kristallographie 138 (1973) 343-365 |
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The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7 |
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Locality: Alice Arm, British Columbia, Canada |
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_database_code_amcsd 0017790 |
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14.387 21.011 4.046 90 90 90 Pbmn |
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atom x y z occ Biso |
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PbM1 .1599 .1929 .25 .5 .9 |
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BiM1 .1599 .1929 .25 .5 .9 |
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PbM2 .3936 .3347 .25 .88 |
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PbM3 .6319 .0211 .25 2.04 |
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BiM4 .6075 .4724 .25 1.14 |
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BiM5 .9579 .3431 .25 .99 |
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Cu .6691 .1722 .25 .9 |
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S1 .5417 .2399 .25 3.6 |
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S2 .0169 .1117 .25 1.4 |
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S3 .4718 .0676 .25 .01 |
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S4 .8026 .2276 .25 .2 |
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S5 .1438 .3724 .25 .9 |
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S6 .7417 .3883 .25 2.5 |
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S7 .3190 .4687 .25 .5 |
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Nierite |
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Kohatsu I, McCauley J W |
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Materials Research Bulletin 9 (1974) 917-920 |
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Re-examination of the crystal structure of alpha-Si3N4 |
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Locality: synthetic |
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_database_code_amcsd 0014238 |
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7.766 7.766 5.615 90 90 120 P31c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si1 .5130 .4305 .658 .96 .0080 .0058 .0081 .0032 .0014 .00059 |
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Si2 .1680 .9150 .4504 .99 .0080 .0071 .0064 .0038 .0038 -.00047 |
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N1 .6124 .9592 .4343 .0018 .0043 .0241 -.0003 .0028 .0067 |
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N2 .3199 .0046 .7045 .0016 .0014 .0213 -.0017 .0026 .0012 |
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N3 2/3 1/3 .6015 .0024 .0024 .0074 .0012 0 0 |
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N4 0 0 .4520 .98 .0064 .0064 .0179 .0032 0 0 |
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