data_global _amcsd_formula_title 'Mg.93Fe.07SiO3' loop_ _publ_author_name 'Zhang L' 'Meng Y' 'Dera P' 'Yang W' 'Mao W L' 'Mao H-K' _journal_name_full 'Proceedings of the National Academy of Sciences' _journal_volume 110 _journal_year 2013 _journal_page_first 6292 _journal_page_last 6295 _publ_section_title ; Single-crystal structure determination of (Mg,Fe)SiO3 postperovskite Note: P = 120 GPa ; _database_code_amcsd 0019942 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Mg.93 Fe.07) Si O3' _cell_length_a 2.466 _cell_length_b 8.130 _cell_length_c 6.108 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 122.457 _exptl_crystal_density_diffrn 5.565 _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_occupancy _atom_site_U_iso_or_equiv Mg 0.00000 0.25600 0.25000 0.93000 0.01000 Fe 0.00000 0.25600 0.25000 0.07000 0.01000 Si 0.00000 0.00000 0.00000 1.00000 0.00800 O1 0.00000 0.92900 0.25000 1.00000 0.02200 O2 0.00000 0.63900 0.43700 1.00000 0.01500