Cu1.6Pb1.6Bi6.4S12 Topa D, Balic-Zunic T, Makovicky E The Canadian Mineralogist 38 (2000) 611-616 The crystal structure of Cu1.6Pb1.6Bi6.4S12, a new 44.8 Angstrom derivative of the bismuthinite-aikinite solid-solution series _database_code_amcsd 0005646 4.0074 44.81 11.513 90 90 90 Pmc2_1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Pb1 0 .06361 .7982 .037 .039 .025 0 0 -.004 Pb2 .5 .31075 .1624 .038 .032 .051 0 0 -.009 Pb3 .5 .43703 .6634 .037 .044 .042 0 0 .013 Bi1 .5 .01584 .4536 .026 .028 .025 0 0 .002 Bi2 .0 .39060 .0091 .029 .035 .026 0 0 -.001 Bi3 .0 .35861 .5042 .028 .036 .031 0 0 .007 Bi4 .0 .14475 -.0009 .026 .026 .028 0 0 -.004 Bi5 .5 .22969 .9590 .028 .025 .031 0 0 -.004 Bi6 .5 .48024 .9714 .028 .030 .036 0 0 -.000 Bi7 .5 .07147 .1293 .032 .033 .029 0 0 .005 Bi8 .0 .30362 .8318 .034 .027 .044 0 0 -.008 Bi9 .0 .44720 .3349 .036 .030 .025 0 0 -.009 Bi10 .0 .10636 .4879 .027 .027 .023 0 0 .003 Bi11 .5 .26746 .4706 .027 .030 .036 0 0 .004 Bi12 .5 .17756 .6374 .030 .028 .033 0 0 .002 Bi13 .0 .19673 .3208 .032 .043 .033 0 0 .008 Cu1 .0 .00907 .2004 .71 .023 .011 .017 0 0 .003 Cu2 .5 .38377 .2609 .99 .040 .042 .026 0 0 .001 Cu3 .5 .36506 -.2392 .97 .036 .039 .022 0 0 .003 Cu4 .5 .13758 .2360 .10 .030 Cu5 .0 .23871 .7081 .10 .030 S1 .0 .04743 .3507 .036 .021 .024 0 0 .003 S2 .0 .03126 .0171 .021 .035 .020 0 0 .014 S3 .0 .11069 .1938 .035 .012 .014 0 0 .007 S4 .5 .17390 .1049 .016 .043 .040 0 0 .011 S5 .5 .09749 .9309 .018 .031 .033 0 0 -.015 S6 .5 .01444 .7576 .024 .025 .020 0 0 -.001 S7 .5 .42267 .1144 .030 .023 .022 0 0 .010 S8 .5 .34362 .9438 .030 .025 .022 0 0 -.009 S9 .5 .26440 .7674 .025 .028 .027 0 0 -.007 S10 .0 .20123 .8531 .039 .026 .012 0 0 -.011 S11 .0 .27640 .0328 .032 .022 .022 0 0 .006 S12 .0 .36002 .2060 .031 .028 .041 0 0 .008 S13 .5 .32776 .6075 .022 .023 .030 0 0 .001 S14 .5 .40576 .4409 .034 .024 .015 0 0 .008 S15 .5 .48695 .2753 .028 .022 .019 0 0 .007 S16 .0 .45007 .8685 .050 .018 .014 0 0 -.012 S17 .0 .47274 .5386 .042 .030 .016 0 0 -.007 S18 .0 .38868 .7039 .040 .011 .032 0 0 -.008 S19 .5 .07648 .5895 .013 .029 .024 0 0 .002 S20 .5 .15537 .4278 .016 .024 .027 0 0 .000 S21 .5 .23728 .2720 .017 .022 .020 0 0 .005 S22 .0 .29897 .3714 .059 .025 .023 0 0 -.002 S23 .0 .21847 .5290 .036 .018 .025 0 0 -.006 S24 .0 .13694 .6902 .027 .020 .033 0 0 -.007