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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004341.cif $
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#
# 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_9004341
_chemical_name 'Poitevinite'
loop_
_publ_author_name
'Giester G'
'Lengauer C L'
'Redhammer G J'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 32
_journal_year 1994
_journal_page_first 873
_journal_page_last 884
_publ_section_title
;
 Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
 nature of poitevinite, (Cu,Fe)SO4.H2O
 Sample: Cu-100
;
_chemical_formula_sum 'Cu S O5 H2'
_cell_length_a 5.034
_cell_length_b 5.167
_cell_length_c 7.573
_cell_angle_alpha 108.64
_cell_angle_beta 108.41
_cell_angle_gamma 90.88
_cell_volume 175.606
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
CuM1   0.00000   0.00000   0.00000   0.00887
CuM2   0.50000   0.50000   0.50000   0.00887
S   0.60800   0.92500   0.24300   0.00507
O1   0.75200   0.82900   0.09500   0.01646
O2   0.30100   0.83600   0.14200   0.02406
O3   0.66300   0.23200   0.32200   0.01900
O4   0.70700   0.80800   0.39900   0.01393
Wat   0.12500   0.43000   0.28400   0.02026