data_global
_chemical_name_mineral 'Fayalite'
loop_
_publ_author_name
'Kudoh Y'
'Takeda H'
_journal_name_full 'Physica B'
_journal_volume 140 
_journal_year 1986
_journal_page_first 333
_journal_page_last 336
_publ_section_title
;
 Single crystal X-ray diffraction study on the bond compressibility
 of fayalite, Fe2SiO4 and rutile, TiO2 under high pressure
 Sample: P = 0.001 kbar
;
_database_code_amcsd 0014999
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.822
_cell_length_b 10.488
_cell_length_c 6.094
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 308.193
_exptl_crystal_density_diffrn      4.392
_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
Fe1   0.00000   0.00000   0.00000   0.00481
Fe2   0.98600   0.28020   0.25000   0.00431
Si   0.43010   0.09740   0.25000   0.00367
O1   0.76790   0.09160   0.25000   0.00646
O2   0.21040   0.45410   0.25000   0.00583
O3   0.28810   0.16490   0.03800   0.00747