data_global
_chemical_name 'MgSiO3'
loop_
_publ_author_name
'Tschauner O'
'Kiefer B'
'Liu H'
'Sinogeikin S'
'Somayazulu M'
'Luo S-N'
_journal_name_full "American Mineralogist"
_journal_volume 93 
_journal_year 2008
_journal_page_first 533
_journal_page_last 539
_publ_section_title
;
 Possible structural polymorphism in Al-bearing magnesiumsilicate post-perovskite
 Sample: 3X1
;
_chemical_formula_sum 'Mg Si O3'
_cell_length_a 9.477
_cell_length_b 6.205
_cell_length_c 4.256
_cell_angle_alpha 90
_cell_angle_beta 98.75
_cell_angle_gamma 90
_cell_volume 247.360
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.04200   0.25000   0.51400
Mg2   0.30300   0.25000   0.07300
Mg3   0.55900   0.25000   0.98900
Mg4   0.79900   0.25000   0.89500
Si1   0.00000   0.00000   0.00000
Si2   0.50000   0.00000   0.50000
Si3   0.24700   0.50100   0.58300
O1   0.98500   0.25000   0.11100
O2   0.23000   0.25000   0.45500
O3   0.48000   0.25000   0.36800
O4   0.73520   0.25000   0.28700
O5   0.84500   0.55900   0.12500
O6   0.90600   0.44300   0.64700
O7   0.34300   0.55600   0.28300
O8   0.40700   0.44400   0.80100

