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 = 10.0 GPa ; _database_code_amcsd 0004131 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg Si O3' _cell_length_a 4.7148 _cell_length_b 4.8741 _cell_length_c 6.8051 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 156.384 _exptl_crystal_density_diffrn 4.264 _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 0.51530 0.55820 0.25000 0.00456 Si 0.50000 0.00000 0.50000 0.00304 O1 0.10340 0.46550 0.25000 0.00367 O2 0.19450 0.20000 0.55330 0.00380 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 0.00330 0.00410 0.00630 0.00050 0.00000 0.00000 Si 0.00190 0.00400 0.00310 0.00020 0.00070 -0.00010 O1 0.00350 0.00470 0.00280 0.00170 0.00000 0.00000 O2 0.00470 0.00300 0.00370 -0.00020 -0.00020 0.00020