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 = 52.4 GPa
;
_database_code_amcsd 0020328
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg2 Si O4'
_cell_length_a 4.695
_cell_length_b 9.201
_cell_length_c 5.311
_cell_angle_alpha 93.100
_cell_angle_beta 107.264
_cell_angle_gamma 98.133
_cell_volume 215.766
_exptl_crystal_density_diffrn      4.331
_symmetry_space_group_name_H-M 'P 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.97140   0.09660   0.64150
Mg2   0.04190   0.93540   0.05670
Mg3   0.00260   0.66560   0.73620
Mg4   0.50650   0.51600   0.84880
Mg5   0.53860   0.79050   0.13880
Mg6   0.01050   0.36660   0.96140
Mg7   0.47460   0.24140   0.55880
Mg8   0.50650   0.51610   0.34890
Si1   0.00480   0.38750   0.45640
Si2   0.00830   0.64450   0.24120
Si3   0.61360   0.12390   0.09510
Si4   0.39950   0.90810   0.60270
O1   0.27020   0.84300   0.81930
O2   0.78650   0.69950   0.96800
O3   0.76280   0.22870   0.37170
O4   0.27560   0.04740   0.49280
O5   0.74290   0.18910   0.87860
O6   0.22660   0.33250   0.72970
O7   0.25060   0.80320   0.32620
O8   0.78330   0.69470   0.40290
O9   0.79240   0.46220   0.17350
O10   0.73720   0.98450   0.20480
O11   0.22040   0.56980   0.52430
O12   0.77600   0.44750   0.64500
O13   0.26850   0.11090   0.00310
O14   0.23700   0.58470   0.05280
O15   0.23000   0.33740   0.29470
O16   0.74460   0.92110   0.69500