data_global _chemical_name_mineral 'Bridgmanite' loop_ _publ_author_name 'Ross N L' 'Hazen R M' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 16 _journal_year 1989 _journal_page_first 415 _journal_page_last 420 _publ_section_title ; Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K Sample: Crystal 1 ; _database_code_amcsd 0007451 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg Si O3' _cell_length_a 4.7786 _cell_length_b 4.9293 _cell_length_c 6.9003 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 162.538 _exptl_crystal_density_diffrn 4.102 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-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 Mg 0.98560 0.05640 0.25000 0.00950 Si 0.00000 0.50000 0.00000 0.00621 O1 0.10150 0.46730 0.25000 0.00570 O2 0.69620 0.29830 0.05240 0.00595