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 = 20 deg C
 olivine
;
_database_code_amcsd 480
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.818
_cell_length_b 10.471
_cell_length_c 6.086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 307.034
_exptl_crystal_density_diffrn  4.408
_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   0.9853  0.28  0.25
Si   0.4292  0.0975  0.25
O1   0.7687  0.0928  0.25
O2   0.2076  0.4529  0.25
O3   0.2884  0.1637  0.0383
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   0.00412  0.01055  0.00657  0.00051  -0.00089  -0.00129
Fe2   0.00529  0.00722  0.00638  0.0  0.0  0.0
Si   0.00223  0.00667  0.00638  0.00051  0.0  0.0
O1   0.00306  0.00778  0.00919  0.00358  0.0  0.0
O2   0.00071  0.01  0.00544  -0.00153  0.0  0.0
O3   0.00412  0.00611  0.00844  -0.00077  -0.00074  0.00226