data_global
_chemical_name_mineral 'Fayalite'
loop_
_publ_author_name
'Birle J D'
'Gibbs G V'
'Moore P B'
'Smith J V'
_journal_name_full 'American Mineralogist'
_journal_volume 53 
_journal_year 1968
_journal_page_first 807
_journal_page_last 824
_publ_section_title
;
 Crystal structures of natural olivines
;
_database_code_amcsd 0000173
_chemical_formula_sum '(Fe1.844 Mg.078 Mn.074 Ca.004) Si O4'
_cell_length_a 4.816
_cell_length_b 10.469
_cell_length_c 6.099
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 307.504
_exptl_crystal_density_diffrn      4.346
_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_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.00000   0.00000   0.00000   0.92200   0.00519
Mg1   0.00000   0.00000   0.00000   0.03900   0.00519
Mn1   0.00000   0.00000   0.00000   0.03700   0.00519
Ca1   0.00000   0.00000   0.00000   0.00200   0.00519
Fe2   0.98608   0.28004   0.25000   0.92200   0.00456
Mg2   0.98608   0.28004   0.25000   0.03900   0.00456
Mn2   0.98608   0.28004   0.25000   0.03700   0.00456
Ca2   0.98608   0.28004   0.25000   0.00200   0.00456
Si   0.43070   0.09723   0.25000   1.00000   0.00342
O1   0.76683   0.09197   0.25000   1.00000   0.00545
O2   0.21027   0.45308   0.25000   1.00000   0.00608
O3   0.28806   0.16532   0.03626   1.00000   0.00659