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 0000481
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.825
_cell_length_b 10.491
_cell_length_c 6.100
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_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   0.00000   0.00000   0.00000
Fe2   0.98590   0.28030   0.25000
Si   0.42940   0.09760   0.25000
O1   0.76720   0.09330   0.25000
O2   0.20860   0.45290   0.25000
O3   0.28970   0.16300   0.03950
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 0.01450 0.01225 0.00051 0.00000 0.00000
Si 0.00472 0.01227 0.01131 0.00128 0.00000 0.00000
O1 0.00295 0.01505 0.01527 0.00462 0.00000 0.00000
O2 0.00448 0.01840 0.01018 -0.00180 0.00000 0.00000
O3 0.00849 0.01115 0.01489 -0.00256 -0.00224 0.00357