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