data_global _chemical_name_mineral 'Bridgmanite' loop_ _publ_author_name 'Sugahara M' 'Yoshiasa A' 'Komatsu Y' 'Yamanaka T' 'Bolfan-Casanova N' 'Nakastuka A' 'Sasaki S' 'Tanaka M' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 533 _journal_page_last 536 _publ_section_title ; Reinvestigation of the MgSiO3 perovskite structure at high pressure Sample: P = .0001 GPa ; _database_code_amcsd 0004129 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg Si O3' _cell_length_a 4.7781 _cell_length_b 4.9305 _cell_length_c 6.8990 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 162.530 _exptl_crystal_density_diffrn 4.103 _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 0.51410 0.55600 0.25000 0.00595 Si 0.50000 0.00000 0.50000 0.00342 O1 0.10180 0.46650 0.25000 0.00393 O2 0.19620 0.20130 0.55260 0.00481 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Mg 0.00580 0.00520 0.00690 0.00060 0.00000 0.00000 Si 0.00350 0.00340 0.00320 -0.00040 -0.00030 -0.00010 O1 0.00370 0.00370 0.00450 0.00000 0.00000 0.00000 O2 0.00470 0.00500 0.00480 0.00040 0.00060 0.00030