data_1010030
_chemical_name_systematic          'Iron boride (2/1)'
_chemical_formula_structural       'Fe2 B'
_chemical_formula_sum              'B Fe2'
_publ_section_title
;
Ueber das Zweistoffsystem Eisen-Bor und ueber die Struktur des
Eisenborides Fe~4~ B~2~
;
loop_
_publ_author_name
  'Wever, F'
  'Mueller, A'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_coden_ASTM                ZAACAB
_journal_volume                    192
_journal_year                      1930
_journal_page_first                317
_journal_page_last                 336
_cell_length_a                     5.078(5)
_cell_length_b                     5.078(5)
_cell_length_c                     4.223(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       108.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        7.24
_symmetry_space_group_name_H-M     'I -4 2 m'
_symmetry_Int_Tables_number        121
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,-z'
  'x,-y,-z'
  '-y,x,-z'
  'y,-x,-z'
  'y,x,z'
  '-y,-x,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,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe0    0.000
  B0     0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Fe1   Fe0    8 i 0.1667 0.1667 0.2 1.  0 d
  B1    B0     2 a 0. 0. 0. 1.  0 d
  B2    B0     2 b 0. 0. 0.5 1.  0 d