data_global
_chemical_name_mineral '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: Fe-100
;
_database_code_amcsd 0005412
_chemical_formula_sum 'Fe S O5 H2'
_cell_length_a 5.177
_cell_length_b 5.176
_cell_length_c 7.608
_cell_angle_alpha 107.57
_cell_angle_beta 107.57
_cell_angle_gamma 93.65
_cell_volume 182.581
_exptl_crystal_density_diffrn      3.091
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_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_U_iso_or_equiv
FeM1   0.00000   0.00000   0.00000   0.01140
FeM2   0.50000   0.50000   0.50000   0.01140
S   0.59600   0.89900   0.24800   0.01013
O1   0.72400   0.81500   0.09700   0.02406
O2   0.29100   0.82700   0.15400   0.01393
O3   0.66800   0.20400   0.34500   0.02533
O4   0.68900   0.76500   0.39400   0.01773
Wat   0.10300   0.39200   0.25500   0.01773