data_global
_chemical_name_mineral 'Bridgmanite'
loop_
_publ_author_name
'Dobson D P'
'Jacobsen S D'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 807
_journal_page_last 811
_publ_section_title
;
 The flux growth of magnesium silicate perovskite single crystals
;
_database_code_amcsd 0003546
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg Si O3'
_cell_length_a 4.7780
_cell_length_b 4.9298
_cell_length_c 6.8990
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 162.503
_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   0.51378   0.55588   0.25000   0.00830
Si   0.50000   0.00000   0.50000   0.00580
O1   0.10189   0.46645   0.25000   0.00730
O2   0.19626   0.20133   0.55258   0.00750
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 0.00770 0.00640 0.01060 0.00050 0.00000 0.00000
Si 0.00550 0.00500 0.00690 -0.00030 0.00020 -0.00010
O1 0.00730 0.00710 0.00750 -0.00010 0.00000 0.00000
O2 0.00690 0.00620 0.00950 0.00090 0.00090 0.00060