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 0000483
_chemical_formula_sum 'Fe2 Si O4'
_cell_length_a 4.860
_cell_length_b 10.559
_cell_length_c 6.150
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_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   0.00000   0.00000   0.00000
Fe2   0.98710   0.28080   0.25000
Si   0.42880   0.09710   0.25000
O1   0.76740   0.09410   0.25000
O2   0.20900   0.45320   0.25000
O3   0.29190   0.16250   0.04430
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 0.00000 0.00000
Si 0.01137 0.02090 0.02759 0.00182 0.00000 0.00000
O1 0.01651 0.02824 0.02989 0.00754 0.00000 0.00000
O2 0.00981 0.02824 0.03296 -0.00624 0.00000 0.00000
O3 0.01986 0.02146 0.04752 -0.00156 0.00257 0.01151