Paratacamite
Fleet M E
Acta Crystallographica B31 (1975) 183-187
The crystal structure of paratacamite, Cu2(OH)3Cl
Sample: Ordered structure, considered to be the true structure
_database_code_amcsd 0009525
13.654 13.654 14.041 90 90 120 R-3
atom     x     y     z Biso  B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Cu1      0     0    .5  .69
Cu2     .5    .5    .5       .00159 .00184 .00102 .00087  .00001 -.00017
Cu3  .4133 .3302 .3318       .00179 .00156 .00200 .00094 -.00011  .00019
Cu4  .4119 .5778 .3326       .00145 .00134 .00107 .00064 -.00019 -.00011
OH1  .5593 .6180 .4047  .58
OH2   .564 .4322 .3908  .77
OH3  .3666 .4284 .3905 2.51
OH4  .0643 .1255 .3921 1.06
Cl1      0     0 .1954 1.19
Cl2  .5004 .5026 .1933 1.18