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 = 900 deg C
 olivine
;
_database_code_amcsd 483
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.86
_cell_length_b 10.559
_cell_length_c 6.15
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 315.598
_exptl_crystal_density_diffrn  4.289
_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   0.9871  0.2808  0.25
Si   0.4288  0.0971  0.25
O1   0.7674  0.0941  0.25
O2   0.209  0.4532  0.25
O3   0.2919  0.1625  0.0443
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   0.02274  0.04462  0.03813  0.00104  -0.00454  -0.00888
Fe2   0.02979  0.02881  0.03047  0.00052  0.0  0.0
Si   0.01137  0.0209  0.02759  0.00182  0.0  0.0
O1   0.01651  0.02824  0.02989  0.00754  0.0  0.0
O2   0.00981  0.02824  0.03296  -0.00624  0.0  0.0
O3   0.01986  0.02146  0.04752  -0.00156  0.00257  0.01151