data_global
_chemical_name_mineral 'Forsterite'
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 = 45.3 GPa
;
_database_code_amcsd 0020327
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 4.5232
_cell_length_b 9.274
_cell_length_c 5.5467
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 232.674
_exptl_crystal_density_diffrn      4.016
_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
Mg1   0.00000   0.00000   0.00000   0.00700
Mg2   0.98450   0.27420   0.25000   0.00750
Si   0.42500   0.09640   0.25000   0.00700
O1   0.76750   0.08990   0.25000   0.00750
O2   0.22710   0.44070   0.25000   0.00610
O3   0.26380   0.16920   0.02330   0.00810