data_global
_amcsd_formula_title 'Mg2SiO4'
loop_
_publ_author_name
'Baur W H'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 709
_journal_page_last 731
_publ_section_title
;
 Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
 polymorphs of low and high density
 Model I
;
_database_code_amcsd 280
_chemical_compound_source 'hypothetical'
_chemical_formula_sum 'Si Mg2 O4'
_cell_length_a 10.11
_cell_length_b 5.77
_cell_length_c 4.7
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 274.173
_exptl_crystal_density_diffrn  3.408
_symmetry_space_group_name_H-M 'P 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,z'
  '-x,y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1   0.842  0.5  0.8752
Si2   0.3226  0.0  0.8824
Mg1   0.5  0.5  0.0
Mg2   0.0  0.0  0.5
Mg3   0.0  0.5  0.5
Mg4   0.5  0.0  0.5
Mg5   0.2482  0.2527  0.499
O1   0.3154  0.5  0.2105
O2   0.1642  0.5  0.7757
O3   0.8305  0.0  0.2334
O4   0.333  0.0  0.2309
O5   0.0851  0.2601  0.2287
O6   0.5932  0.2281  0.221