data_global
_chemical_name_mineral 'Fayalite'
loop_
_publ_author_name
'Hazen R M'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 286
_journal_page_last 295
_publ_section_title
;
 Effects of temperature and pressure on the crystal structure of ferromagnesian
 olivine
 T = 23 deg C, P = 1 atm, standard mount
;
_database_code_amcsd 0000567
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.818
_cell_length_b 10.470
_cell_length_c 6.086
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 307.005
_exptl_crystal_density_diffrn      4.409
_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   0.98510   0.28030   0.25000
Si   0.42920   0.09730   0.25000
O1   0.76800   0.09070   0.25000
O2   0.20790   0.45510   0.25000
O3   0.28900   0.16500   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 0.00682 0.00944 0.00600 0.00179 -0.00193 -0.00097
Fe2 0.00529 0.00611 0.00600 0.00077 0.00000 0.00000
Si 0.00635 0.00389 0.00619 0.00128 0.00000 0.00000
O1 0.00270 0.00389 0.01276 0.00153 0.00000 0.00000
O2 0.00435 0.00056 0.01088 -0.00307 0.00000 0.00000
O3 0.00623 0.00833 0.01182 0.00128 0.00371 -0.00129