data_global _chemical_name_mineral 'Hematophanite' loop_ _publ_author_name 'Rouse R C' _journal_name_full 'Mineralogical Magazine' _journal_volume 39 _journal_year 1973 _journal_page_first 49 _journal_page_last 53 _publ_section_title ; Hematophanite, a derivative of the perovskite structure ; _database_code_amcsd 0014458 _chemical_compound_source 'Langban, Sweden' _chemical_formula_sum 'Pb4 Fe3 O8 Cl' _cell_length_a 3.92 _cell_length_b 3.92 _cell_length_c 15.31 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 235.260 _exptl_crystal_density_diffrn 8.186 _symmetry_space_group_name_H-M 'P 4 m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' '-y,x,z' 'x,-y,z' '-x,-y,z' 'y,x,z' 'y,-x,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 Pb1 0.00000 0.00000 0.00000 0.00532 Pb2 0.00000 0.00000 0.23700 0.01203 Pb3 0.00000 0.00000 0.50100 0.00709 Pb4 0.00000 0.00000 0.74500 0.01393 Fe1 0.50000 0.50000 0.36300 0.00633 Fe2 0.50000 0.50000 0.61900 0.00633 Fe3 0.50000 0.50000 0.87000 0.00633 O1 0.50000 0.00000 0.33900 0.01773 O2 0.50000 0.50000 0.47800 0.01089 O3 0.50000 0.00000 0.60700 0.05066 O4 0.50000 0.50000 0.74700 0.02026 O5 0.50000 0.00000 0.91500 0.00367 Cl 0.50000 0.50000 0.12100 0.02533