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 0000482
_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
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 312.010
_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   0.00000   0.00000   0.00000
Fe2   0.98660   0.28060   0.25000
Si   0.42950   0.09750   0.25000
O1   0.76730   0.09360   0.25000
O2   0.20940   0.45270   0.25000
O3   0.29060   0.16280   0.04030
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 0.02110 0.00077 -0.00285 -0.00555
Fe2 0.02018 0.02243 0.01939 -0.00052 0.00000 0.00000
Si 0.00784 0.01907 0.01464 0.00026 0.00000 0.00000
O1 0.01496 0.02019 0.01958 0.00490 0.00000 0.00000
O2 0.00641 0.02355 0.01749 -0.00206 0.00000 0.00000
O3 0.01294 0.01794 0.02567 -0.00129 0.00030 0.00784