#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007501.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9007501
_chemical_name 'Bonattite'
loop_
_publ_author_name
'Zahrobsky R F'
'Baur W H'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 24
_journal_year 1968
_journal_page_first 508
_journal_page_last 513
_publ_section_title
;
 On the crystal chemistry of salt hydrates. V. The determination of the crystal
 structure of CuSO4*3H2O (bonattite)
 Locality: synthetic
;
_chemical_formula_sum 'Cu S O7 H6'
_cell_length_a 5.592
_cell_length_b 13.029
_cell_length_c 7.341
_cell_angle_alpha 90
_cell_angle_beta 97.05
_cell_angle_gamma 90
_cell_volume 530.808
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.50000   0.36400   0.50000
S   0.26430   0.11150   0.41680
O1   0.16180   0.16390   0.24460
O2   0.83190   0.30570   0.05050
O3   0.47880   0.05360   0.38050
O4   0.08660   0.95620   0.98250
O5   0.33600   0.37250   0.24620
O6   0.69400   0.09110   0.08090
O7   0.78400   0.30410   0.41030
H1   0.42800   0.39700   0.15100
H2   0.17400   0.35500   0.19200
H3   0.63500   0.09300   0.20000
H4   0.60400   0.04000   0.00300
H5   0.93000   0.27600   0.47600
H6   0.79500   0.30400   0.28000