data_global
_chemical_name_mineral 'Fayalite'
loop_
_publ_author_name
'Smyth J R'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 1092
_journal_page_last 1097
_publ_section_title
;
 High temperature crystal chemistry of fayalite
 T = 600 deg C
 olivine
;
_database_code_amcsd 482
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.841
_cell_length_b 10.521
_cell_length_c 6.126
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 312.01
_exptl_crystal_density_diffrn  4.338
_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
Fe1   0.0  0.0  0.0
Fe2   0.9866  0.2806  0.25
Si   0.4295  0.0975  0.25
O1   0.7673  0.0936  0.25
O2   0.2094  0.4527  0.25
O3   0.2906  0.1628  0.0403
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe1   0.01532  0.03365  0.0211  0.00077  -0.00285  -0.00555
Fe2   0.02018  0.02243  0.01939  -0.00052  0.0  0.0
Si   0.00784  0.01907  0.01464  0.00026  0.0  0.0
O1   0.01496  0.02019  0.01958  0.0049  0.0  0.0
O2   0.00641  0.02355  0.01749  -0.00206  0.0  0.0
O3   0.01294  0.01794  0.02567  -0.00129  0.0003  0.00784