Paratacamite
Fleet M E
Acta Crystallographica B31 (1975) 183-187
The crystal structure of paratacamite, Cu2(OH)3Cl
Sample: Substructure, with disordered oxygens
_database_code_amcsd 0009527
6.827 6.827 14.041 90 90 120 R-3
atom     x    y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu1      0    0    .5     .00639 .00639 .00095 .00319      0      0
Cu2     .5    0     0     .00742 .00624 .00154 .00312 .00053 .00026
O1    .210 .790  .065 .76
O2    .195 .805  .048 .24
Cl       0    0 .1938     .00912 .00912 .00137 .00456      0      0