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 0000480
_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
_cell_angle_beta 90
_cell_angle_gamma 90
_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   0.00000   0.00000   0.00000
Fe2   0.98530   0.28000   0.25000
Si   0.42920   0.09750   0.25000
O1   0.76870   0.09280   0.25000
O2   0.20760   0.45290   0.25000
O3   0.28840   0.16370   0.03830
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 0.00000 0.00000 0.00000
Si 0.00223 0.00667 0.00638 0.00051 0.00000 0.00000
O1 0.00306 0.00778 0.00919 0.00358 0.00000 0.00000
O2 0.00071 0.01000 0.00544 -0.00153 0.00000 0.00000
O3 0.00412 0.00611 0.00844 -0.00077 -0.00074 0.00226