Pillaite
Meerschaut A, Palvadeau P, Moello Y, Orlandi P
European Journal of Mineralogy 13 (2001) 779-790
Lead-antimony sulfosalts from Tuscany (Italy). IV. Crystal structure of pillaite,
Pb9Sb10S23ClO0.5, an expanded monoclinic derivative of hexagonal Bi(Bi2S3)9I3,
from the zinkenite group
Locality: Buca della Vena mine, Tuscany, Italy
Note: changed Pb2(z) to 0.2572 to match reported bond distances
_database_code_amcsd 0006897
49.49 4.1259 21.828 90 99.62 90 C2/m
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   .0753    .5  .2533     .028   .023   .025   .035      0  -.002      0
Pb2  -.0073    .5  .2572     .032   .021   .024   .047      0  -.001      0
Pb3  -.0897    .5  .3052     .025   .023   .028   .024      0   .004      0
Pb4   .3257     0  .3454     .032   .028   .034   .035      0   .011      0
Pb5   .3406     0  .1496     .025   .023   .030   .021      0   .003      0
Pb6   .1466    .5  .0433     .030   .033   .030   .022      0  -.007      0
Pb7  -.0749    .5  .1004     .030   .027   .034   .029      0   .000      0
Pb8   .2897     0  .4972 .75 .037   .052   .033   .028      0   .008      0
Sb8   .2897     0  .4972 .25 .037   .052   .033   .028      0   .008      0
Pb9   .2436    .5  .3440 .75 .042   .062   .033   .034      0   .020      0
Sb9   .2436    .5  .3440 .25 .042   .062   .033   .034      0   .020      0
Pb10  .1579    .5  .2470 1/3 .033   .027   .024   .053      0   .027      0
Sb10  .1579    .5  .2470 2/3 .033   .027   .024   .053      0   .027      0
Pb11  .1327     0  .3915 1/3 .038   .035   .036   .041      0   .003      0
Sb11  .1327     0  .3915 2/3 .038   .035   .036   .041      0   .003      0
Sb    .0493     0  .4032     .037   .050   .033   .023      0  -.007      0
Sb1  -.0307     0  .4246     .040   .062   .032   .022      0  -.008      0
Sb2   .8890     0  .4602     .039   .029   .064   .021      0  -.007      0
Sb3   .2741    .5  .1902     .029   .017   .027   .045      0   .010      0
Sb4   .2853    .5  .0135     .026   .018   .033   .027      0   .004      0
Sb5   .2083     0  .1711     .035   .014   .068   .023      0  -.001      0
Sb6  -.0031 .0571  .0874  .5 .036   .037   .044   .031  -.008   .016  -.012
Sb7  -.0708 .0675 -.0655  .5 .044   .028   .072   .037   .014   .015   .006
S1    .1658    .5  .3748     .029
S2    .0852    .5  .3901     .032
S3    .0081    .5  .4114     .046
S4   -.0689    .5  .4365     .036
S5    .3559     0  .4729     .025
S6    .2971    .5  .4076     .026
S7    .2670     0  .2729     .039
S8    .2816     0  .1085     .025
S9    .2894     0 -.0626     .030
S10   .1960     0  .2782     .042
S11   .2366     0  .4339     .027
S12   .1165     0  .2730     .024
S13   .0349     0  .2891     .021
S14  -.0460     0  .3134     .023
S15   .8750     0  .3489     .022
S16   .3225    .5  .2309     .024
S17   .3346    .5  .0506     .027
S18   .1589     0  .1348     .024
S19  -.0997    .5  .8745     .025
S20  -.0385    .5  .0175     .028
S21   .0236    .5  .1520     .027
S22  -.0354     0  .1606     .025
S23   .8993     0  .0125     .019
Cl    .3915    .5  .1860     .030
O     .2092    .5  .2080  .5 .037