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: P = 58.2 GPa
;
_database_code_amcsd 0020329
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 2.640
_cell_length_b 8.596
_cell_length_c 9.04
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 205.149
_exptl_crystal_density_diffrn      4.555
_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
_atom_site_U_iso_or_equiv
Mg1   0.50000   0.37300   0.35000   0.00900
Mg2   0.50000   0.88900   0.62200   0.01200
Si1   0.00000   0.85700   0.00000   0.01800
O1   0.50000   0.98300   0.46000   0.02200
O2   0.50000   0.23100   0.57200   0.00400
O3   0.50000   0.70600   0.27100   0.02300
O4   0.50000   0.46600   0.18100   0.01100