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
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