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
 Note: variety hortonolite
;
_database_code_amcsd 174
_chemical_formula_sum '(Mg.98 Fe.98 Mn.02 Ca.02) Si O4'
_cell_length_a 4.787
_cell_length_b 10.341
_cell_length_c 6.044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 299.192
_exptl_crystal_density_diffrn  3.83
_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
Mg1   0.0  0.0  0.0  0.49  0.00456
Fe1   0.0  0.0  0.0  0.49  0.00456
Mn1   0.0  0.0  0.0  0.01  0.00456
Ca1   0.0  0.0  0.0  0.01  0.00456
Mg2   0.98678  0.27915  0.25  0.49  0.00595
Fe2   0.98678  0.27915  0.25  0.49  0.00595
Mn2   0.98678  0.27915  0.25  0.01  0.00595
Ca2   0.98678  0.27915  0.25  0.01  0.00595
Si   0.4287  0.09576  0.25  1.0  0.00228
O1   0.76844  0.09173  0.25  1.0  0.00355
O2   0.21419  0.44958  0.25  1.0  0.00228
O3   0.28401  0.16395  0.03442  1.0  0.00469