Bonattite
Zahrobsky R F, Baur W H
Acta Crystallographica B24 (1968) 508-513
On the crystal chemistry of salt hydrates. V. The determination of the crystal
structure of CuSO4*3H2O (bonattite)
Locality: synthetic
_database_code_amcsd 0009338
5.592 13.029 7.341 90 97.05 90 Cc
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Cu      .5 .3640    .5 .00527 .00104 .00207 -.00058  .00055 -.00010
S    .2643 .1115 .4168 .00422 .00056 .00216 -.00017  .00055 -.00015
O1   .1618 .1639 .2446 .01639 .00081 .00263 -.00017 -.00346  .00171
O2   .8319 .3057 .0505 .01526 .00134 .00287  .00266 -.00061  .00147
O3   .4788 .0536 .3805 .01136 .00304 .00701  .00342  .00507  .00173
O4   .0866 .9562 .9825 .01006 .00167 .00772  .00134  .00500 -.00039
O5   .3360 .3725 .2462 .00852 .00156 .00433 -.00024  .00111  .00034
O6   .6940 .0911 .0809 .01030 .00132 .00334 -.00110  .00340 -.00002
O7   .7840 .3041 .4103 .00608 .00291 .00310  .00107  .00154 -.00010
H1    .428  .397  .151
H2    .174  .355  .192
H3    .635  .093  .200
H4    .604  .040  .003
H5    .930  .276  .476
H6    .795  .304  .280