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 = 7.8 GPa
;
_database_code_amcsd 0004130
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg Si O3'
_cell_length_a 4.722
_cell_length_b 4.880
_cell_length_c 6.825
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 157.271
_exptl_crystal_density_diffrn      4.240
_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   0.51520   0.55850   0.25000   0.00545
Si   0.50000   0.00000   0.50000   0.00266
O1   0.10400   0.46460   0.25000   0.00317
O2   0.19260   0.20120   0.55310   0.00355
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 0.00470 0.00390 0.00780 0.00090 0.00000 0.00000
Si 0.00170 0.00360 0.00300 0.00010 0.00010 -0.00070
O1 0.00320 0.00320 0.00320 0.00000 0.00000 0.00000
O2 0.00350 0.00350 0.00350 0.00000 0.00000 0.00000