data_global
_amcsd_formula_title 'FeF2'
loop_
_publ_author_name
'Baur W H'
'Khan A A'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 27 
_journal_year 1971
_journal_page_first 2133
_journal_page_last 2139
_publ_section_title
;
 Rutile-type compounds. VI.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_database_code_amcsd 0009409
_chemical_formula_sum 'Fe F2'
_cell_length_a 4.6945
_cell_length_b 4.6945
_cell_length_c 3.3097
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 72.940
_exptl_crystal_density_diffrn      4.273
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.00000   0.00000   0.00000
F   0.30100   0.30100   0.00000
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
Fe 0.00726 0.00726 0.00610 -0.00089 0.00000 0.00000
F 0.01384 0.01384 0.01171 -0.00692 0.00000 0.00000