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 = 300 deg C
 olivine
;
_database_code_amcsd 481
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.825
_cell_length_b 10.491
_cell_length_c 6.1
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 308.776
_exptl_crystal_density_diffrn  4.383
_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   0.9859  0.2803  0.25
Si   0.4294  0.0976  0.25
O1   0.7672  0.0933  0.25
O2   0.2086  0.4529  0.25
O3   0.2897  0.163  0.0395
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   0.00885  0.02119  0.01357  0.00128  -0.00134  -0.00292
Fe2   0.01238  0.0145  0.01225  0.00051  0.0  0.0
Si   0.00472  0.01227  0.01131  0.00128  0.0  0.0
O1   0.00295  0.01505  0.01527  0.00462  0.0  0.0
O2   0.00448  0.0184  0.01018  -0.0018  0.0  0.0
O3   0.00849  0.01115  0.01489  -0.00256  -0.00224  0.00357