Pb3.45Sb2.55S6.55Cl1.45
Doussier C, Moelo Y, Meerschaut A, Leone P, Guillot-Deudon C
Journal of Solid State Chemistry 181 (2008) 920-934
Crystal structure of the new compound Pb3+xSb3 xS7 xCl1+x(x~0.45):
The homologous series Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN and
its polychalcogenide derivatives (N = 1-3)
Locality: synthetic
_database_code_amcsd 0019220
15.194 23.035 4.0591 90 90 90 Pbam
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  .4283 .3731    .5      .0245  .0304  .0250  .0182  .0039      0      0
Pb2  .3222 .2074     0      .0222  .0231  .0256  .0179  .0013      0      0
Pb3  .1936 .0444     0      .0236  .0205  .0317  .0186  .0043      0      0
Sb4  .3194 .0946 .0582 .425 .0231
Sb4A  .309 .1086     0  .10 .0231
Pb4   .346  .107     0  .05  .044
Sb5  .4390 .0704 .0532  .30 .0137
Sb5A  .425 .0554     0  .10 .0137
Sb5B .4463 .0852     0  .20 .0137
Pb5  .4568 .0636     0  .10  .018
Sb6  .5710 .2474     0  .40  .017
Sb6B .5664 .2337  .091  .15  .017
Pb6  .5746 .2356     0  .30  .023
S1   .4153 .2796     0  .70 .0163   .014   .020   .015   .001      0      0
Cl1  .4153 .2796     0  .30 .0163   .014   .020   .015   .001      0      0
S2   .2911 .1167     0  .90 .0169   .017   .020   .014   .001      0      0
Cl2  .2911 .1167     0  .10 .0169   .017   .020   .014   .001      0      0
S3   .1768 .0494     0  .95 .0155   .014   .020   .013   .001      0      0
Cl3  .1768 .0494     0  .05 .0155   .014   .020   .013   .001      0      0
S4   .2362 .3349    .5      .0251   .017   .023   .035   .002      0      0
S5   .3697 .0074    .5       .029   .021   .036   .030   .007      0      0
S6   .4871 .1498    .5      .0256   .015   .034   .027   .006      0      0
S7   .6121 .3106    .5       .028   .016   .028   .041   .006      0      0
Cl   .5478 .4284     0      .0266   .015   .040   .025   .010      0      0