Paratacamite
Fleet M E
Acta Crystallographica B31 (1975) 183-187
The crystal structure of paratacamite, Cu2(OH)3Cl
Sample: Substructure, can be considered as the average structure
_database_code_amcsd 0009526
6.827 6.827 14.041 90 90 120 R-3
atom     x     y     z 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
O    .2064 .7936 .0614 .01076 .00766 .00254 .00383 .00394 .00197
Cl       0     0 .1938 .00912 .00912 .00137 .00456      0      0
H      .14   .28   .12