data_global
_amcsd_formula_title 'Mg2SiO4'
loop_
_publ_author_name
'Finkelstein G J'
'Dera P K'
'Jahn S'
'Oganov A R'
'Holl C M'
'Meng Y'
'Duffy T S'
_journal_name_full 'American Mineralogist'
_journal_volume 99 
_journal_year 2014
_journal_page_first 35
_journal_page_last 43
_publ_section_title
;
 Phase transitions and equation of state of forsterite to 90 GPa from single-crystal
 X-ray diffraction and molecular modeling
 Note: DFT Optimized
 Note: P = 58.2 GPa
;
_database_code_amcsd 0020330
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 2.5910
_cell_length_b 8.7260
_cell_length_c 8.7940
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 198.824
_exptl_crystal_density_diffrn      4.700
_symmetry_space_group_name_H-M 'C m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.50000   0.36360   0.35410
Mg2   0.50000   0.88610   0.67770
Si   0.00000   0.87200   0.00000
O1   0.50000   0.00466   0.44060
O2   0.50000   0.25370   0.54900
O3   0.50000   0.70480   0.32470
O4   0.50000   0.45260   0.16470