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Emilite |
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Balic-Zunic T, Topa D, Makovicky E |
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The Canadian Mineralogist 40 (2002) 239-245 |
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The crystal structure of emilite, Cu10.7Pb10.7Bi21.3S48, the second 45 |
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angstrom derivative of the bismuthinite-aikinite solid-solution series |
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_database_code_amcsd 0005769 |
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4.0285 44.986 11.599 90 90 90 Pmc2_1 |
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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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Bi1 0 .14354 .4003 .0301 .030 .027 .034 0 0 -.005 |
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Bi2 .5 -.01589 .3608 .0295 .031 .030 .027 0 0 -.001 |
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Bi3 .5 .07152 .5363 .0365 .035 .041 .033 0 0 -.001 |
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Bi4 0 .10499 .8982 .0310 .029 .028 .036 0 0 .003 |
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Bi5 .5 .26488 .8645 .0299 .033 .026 .031 0 0 .002 |
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Bi6 .5 .17709 .0368 .0366 .036 .033 .041 0 0 .001 |
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Bi7 .5 .51934 .8652 .0293 .031 .023 .033 0 0 .003 |
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Bi8 0 .35944 .8998 .0324 .031 .035 .032 0 0 .002 |
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Bi9 0 .44729 .7272 .0378 .040 .026 .048 0 0 -.002 |
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Bi10 .5 .23178 .3614 .0288 .030 .026 .030 0 0 .000 |
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Bi11 0 .39190 .4033 .0294 .030 .024 .035 0 0 .000 |
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Pb1 0 .06241 .2050 .0335 .038 .036 .026 0 0 -.003 |
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Pb2 0 .18685 .7081 .0389 .041 .030 .045 0 0 .008 |
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Pb3 .5 .43728 .0540 .0373 .039 .028 .045 0 0 .004 |
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Pb4 .5 .31476 .5495 .0375 .038 .025 .049 0 0 .000 |
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Pb5 0 .30960 .2145 .0394 .040 .022 .057 0 0 -.003 |
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Cu1 0 .0100 .6080 .025 .021 .050 .006 0 0 -.003 |
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Cu2 0 .2594 .6160 .036 .038 .031 .040 0 0 -.002 |
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Cu3 .5 .3652 .1472 .048 .058 .022 .064 0 0 .011 |
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Cu4 .5 .3858 .6530 .046 .059 .023 .056 0 0 -.013 |
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Cu5 0 .2387 .1100 .035 .038 .028 .040 0 0 .002 |
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Cu6 0 .4882 .112 .36 .04 |
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Cu7 .5 .1335 .656 .34 .04 |
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Cu8 .5 .1114 .150 .29 .04 |
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S1 .5 .1727 .500 .027 |
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S2 .5 .0975 .334 .029 |
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S3 .5 .0139 .163 .020 |
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S4 0 -.0469 .256 .022 |
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S5 0 .0305 .425 .028 |
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S6 0 .1108 .594 .023 |
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S7 .5 .0747 .001 .030 |
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S8 .5 .1512 .834 .026 |
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S9 .5 .2348 .668 .024 |
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S10 0 .2962 .766 .020 |
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S11 0 .2181 .927 .022 |
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S12 0 .1367 .093 .019 |
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S13 0 .5491 .763 .028 |
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S14 0 .4719 .932 .033 |
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S15 0 .3881 .094 .034 |
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S16 .5 .3264 .999 .038 |
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S17 .5 .4059 .836 .040 |
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S18 .5 .4869 .667 .031 |
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S19 0 .2003 .255 .023 |
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S20 0 .2772 .428 .027 |
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S21 0 .3613 .597 .027 |
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S22 .5 .4228 .504 .038 |
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S23 .5 .3464 .339 .031 |
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S24 .5 .2617 .167 .025 |
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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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