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