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Gustavite |
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Makovicky E, Topa D |
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European Journal of Mineralogy 23 (2011) 537-550 |
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The crystal structure of gustavite, PbAgBi3S6 |
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Analysis of twinning and polytypism using the OD approach |
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Locality: Rotgulden, Lungau, Salzburg Land, Austria |
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_database_code_amcsd 0018646 |
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7.0567 19.6905 8.2219 90 106.961 90 P2_1/c |
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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 .17402 .36005 .79503 .891 .0196 .0238 .0178 .0181 -.0016 .0076 .0010 |
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Sb1 .17402 .36005 .79503 .109 .0196 .0238 .0178 .0181 -.0016 .0076 .0010 |
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Bi2 .26674 .55009 .56396 .0190 .0229 .0171 .0170 .0007 .0058 .0005 |
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Bi3 .72098 .44808 .92732 .875 .0179 .0214 .0178 .0156 .0010 .0069 -.0008 |
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Ag3 .72098 .44808 .92732 .125 .0179 .0214 .0178 .0156 .0010 .0069 -.0008 |
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Pb .62988 .25026 .15744 .0275 .0286 .0343 .0204 .0013 .0085 .0002 |
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Ag4 .15180 .36653 .28715 .861 .0463 .060 .040 .039 .0167 .0138 .0038 |
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Bi4 .15180 .36653 .28715 .139 .0463 .060 .040 .039 .0167 .0138 .0038 |
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S1 .0109 .4942 .2650 .020 .022 .019 .019 -.011 .007 -.004 |
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S2 .9105 .3326 .4875 .022 .028 .016 .024 .002 .009 .001 |
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S3 .4904 .4020 .1113 .025 .020 .022 .032 -.002 .004 -.007 |
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S4 .3445 .2423 .8360 .020 .020 .021 .018 .001 .003 .001 |
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S5 .5187 .5957 .3696 .023 .018 .019 .030 -.004 .001 -.009 |
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S6 .9121 .3339 .9712 .020 .021 .017 .022 -.003 .006 -.001 |
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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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Gustavite |
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Pazout R, Dusek M |
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Acta Crystallographica C65 (2009) i77-i80 |
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Natural monoclinic AgPb(Bi2Sb)S6, an Sb-rich gustavite, |
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Locality: Kutna Hora polymetallic deposit, Czech Republic |
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_database_code_amcsd 0017602 |
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7.0455 19.5294 8.3412 90 107.446 90 P2_1/c |
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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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Ag1b .8571 .36619 .2141 .0493 .058 .0400 .0456 -.0217 .0090 -.0017 |
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Pb3 .36678 .24985 .34306 .0350 .0334 .0416 .0301 -.0021 .0096 -.0006 |
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Bi1a .82041 .13967 .20339 .909 .0238 .0225 .0244 .0246 -.0011 .0073 .0006 |
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Bi2b .26197 .45056 .06313 .739 .0242 .0272 .0213 .0229 .0000 .0055 -.0002 |
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Sb2b .26197 .45056 .06313 .261 .0242 .0272 .0213 .0229 .0000 .0055 -.0002 |
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Sb2a .2793 .05451 .07319 .650 .0219 .0168 .0258 .0224 .0023 .0049 -.0008 |
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Bi2a .2793 .05451 .07319 .350 .0219 .0168 .0258 .0224 .0023 .0049 -.0008 |
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S3 .6512 .2599 .1642 .025 .025 .029 .023 -.001 .009 -.001 |
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S4b .0924 .3331 .0084 .026 .030 .021 .028 .003 .010 .000 |
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S1a .5016 .4015 .3948 .029 .015 .031 .041 -.006 .009 .003 |
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S4a .0838 .1658 .0293 .025 .026 .020 .029 .007 .012 .006 |
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S1b .5089 .0969 .3582 .027 .011 .034 .034 -.006 .003 .005 |
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S2 .9871 .4915 .2228 .030 .030 .030 .032 .010 .013 .001 |
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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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Gustavite |
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Bente K, Engel M, Steins M |
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Zeitschrift fur Kristallographie 205 (1993) 327-328 |
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Crystal structure of lead silver tribismuth sulfide, PbAgBi3S6 |
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Locality: synthetic |
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Note: natural gustavite exhibits ordered Bi/Ag |
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_database_code_amcsd 0011039 |
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4.077 13.477 19.88 90 90 90 Cmcm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb 0 .1835 .25 .025 .031 .070 0 0 0 |
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Ag2 .5 .4150 .3645 .5 .023 .030 .030 0 .003 0 |
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Bi2 .5 .4150 .3645 .5 .023 .030 .030 0 .003 0 |
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Bi1 .5 .1377 .0502 .0188 .0186 .022 0 .0008 0 |
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S1 0 0 0 .016 .026 .03 0 0 0 |
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S2 0 .2612 .0968 .023 .028 .030 0 -.011 0 |
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S3 .5 .327 .25 .029 .012 .05 0 0 0 |
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S4 .5 .0450 .1659 .018 .026 .024 0 -.001 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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