Piypite
Effenberger H, Zemann J
Mineralogical Magazine 48 (1984) 541-546
The crystal structure of caratiite
Locality: Mount Vesuvius, Naples, Italy
_database_code_amcsd 0014478
13.60 13.60 4.98 90 90 90 I4
atom        x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K       .1905  .1279 -.0379     1.92  .0019  .0030  .0222  .0002  .0005  .0015
Cu2+   .05627 .40789      0     1.12  .0015  .0015  .0116  .0002 -.0001  .0003
O           0     .5  .7572     1.11  .0017  .0016  .0093 -.0001      0      0
S       .4426  .2347 -.0179     1.14  .0019  .0012  .0118  .0002 -.0003  .0008
O1      .4230  .2103  .2705     1.99  .0044  .0019  .0133  .0005  .0005  .0003
O2      .3807  .1706 -.1884     2.12  .0018  .0036  .0246 -.0001  .0005 -.0040
O3      .5456  .2157 -.0778     2.03  .0018  .0018  .0354  .0001  .0004  .0008
O4      .4158  .3369 -.0531     2.52  .0041  .0015  .0346  .0011  .0004  .0025
Cu1+Me      0      0  .4482  .5 2.85  .0045  .0045  .0188      0      0      0
Cl          0      0 -.0513     3.15  .0026  .0026  .0579      0      0      0