data_global
_chemical_name_mineral 'Bridgmanite'
loop_
_publ_author_name
'Bindi L'
'Sirotkina E A'
'Bobrov A V'
'Irifune T'
_journal_name_full 'American Mineralogist'
_journal_volume 99 
_journal_year 2014
_journal_page_first 866
_journal_page_last 869
_publ_section_title
;
 Chromium solubility in perovskite at high pressure: The structure of
 (Mg1-xCrx)(Si1-xCrx)O3 (with x = 0.07) synthesized at 23 GPa and 1600 C
;
_database_code_amcsd 0020143
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Mg.931 Cr.138) Si.931 O3'
_cell_length_a 4.8213
_cell_length_b 4.9368
_cell_length_c 6.9132
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 164.547
_exptl_crystal_density_diffrn      4.196
_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_occupancy
_atom_site_U_iso_or_equiv
Mg   0.98790   0.07260   0.25000   0.93100   0.01850
Cr1   0.98790   0.07260   0.25000   0.06900   0.01850
Cr2   0.00000   0.50000   0.00000   0.06900   0.02070
Si   0.00000   0.50000   0.00000   0.93100   0.02070
O1   0.10250   0.44780   0.25000   1.00000   0.02430
O2   0.68530   0.31240   0.05000   1.00000   0.02550
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 0.01930 0.01710 0.01920 0.00000 0.00000 0.00000
Cr1 0.01930 0.01710 0.01920 0.00000 0.00000 0.00000
Cr2 0.02050 0.02010 0.02150 0.00040 0.00000 -0.00020
Si 0.02050 0.02010 0.02150 0.00040 0.00000 -0.00020
O1 0.02300 0.02180 0.02820 0.00160 0.00000 0.00000
O2 0.02500 0.02580 0.02560 -0.00010 0.00030 -0.00030