data_9004340
_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-48,Fe-52
;
_chemical_formula_sum '(Cu.48 Fe.52) S O5 H2'
_cell_length_a 5.120
_cell_length_b 5.160
_cell_length_c 7.535
_cell_angle_alpha 107.06
_cell_angle_beta 107.40
_cell_angle_gamma 92.73
_cell_volume 179.591
_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_occupancy
_atom_site_Uiso_or_equiv
CuM1   0.00000   0.00000   0.00000   0.48000   0.01393
FeM1   0.00000   0.00000   0.00000   0.52000   0.01393
CuM2   0.50000   0.50000   0.50000   0.48000   0.01393
FeM2   0.50000   0.50000   0.50000   0.52000   0.01393
S   0.59300   0.91800   0.24800   1.00000   0.00887
O1   0.72700   0.83000   0.09800   1.00000   0.01393
O2   0.28700   0.82800   0.15400   1.00000   0.01646
O3   0.64400   0.22200   0.33100   1.00000   0.01140
O4   0.69400   0.79700   0.40400   1.00000   0.02026
Wat   0.11400   0.40700   0.26500   1.00000   0.01267