data_global _amcsd_formula_title 'Fe4O5' loop_ _publ_author_name 'Lavina B' 'Dera P' 'Kim E' 'Meng Y' 'Downs R T' 'Weck P F' 'Sutton S R' 'Zhao Y' _journal_name_full 'Proceedings of the National Academy of Sciences' _journal_volume 108 _journal_year 2011 _journal_page_first 17281 _journal_page_last 17284 _publ_section_title ; Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa ; _database_code_amcsd 0018509 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe4 O5' _cell_length_a 2.8430 _cell_length_b 9.700 _cell_length_c 12.29 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 338.923 _exptl_crystal_density_diffrn 5.946 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Fe1 0.00000 0.00000 0.00000 0.02000 Fe2 0.00000 0.26160 0.11310 0.02000 Fe3 0.00000 0.50480 0.25000 0.02000 O1 0.00000 0.15800 0.25000 0.02000 O2 0.00000 0.36500 0.55000 0.02000 O3 0.00000 0.08500 0.64300 0.02000