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: Cu-48,Fe-52 ; _database_code_amcsd 0005413 _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 _exptl_crystal_density_diffrn 3.211 _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_occupancy _atom_site_U_iso_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