data_FeB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.94
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Au
_chemical_formula_sum   'Fe1 B2 Au1'
_cell_volume   41.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  B  B1  1  0.37  0.47  0.29  1.0
  B  B2  1  0.37  0.47  0.85  1.0
  Au  Au0  1  0.37  0.0  0.57  1.0

data_FeB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.94
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeB2Au
_chemical_formula_sum   'Fe1 B2 Au1'
_cell_volume   41.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.37  0.47  0.29  1.0
  B  B2  1  0.37  0.47  0.85  1.0
  Au  Au3  1  0.37  0.0  0.57  1.0

Fe B B Au
FeAuB2 crystallizes in the triclinic P1 space group. Fe(1) is bonded in a 2-coordinate geometry to four equivalent B(2) atoms. There are a spread of Fe(1)-B(2) bond distances ranging from 1.88-2.45 Å. Au(1) is bonded in a distorted square co-planar geometry to two equivalent B(1) and two equivalent B(2) atoms. There is one shorter (1.99 Å) and one longer (2.12 Å) Au(1)-B(1) bond length. There is one shorter (1.99 Å) and one longer (2.12 Å) Au(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to two equivalent Au(1) and one B(2) atom. The B(1)-B(2) bond length is 2.27 Å. In the second B site, B(2) is bonded in a 7-coordinate geometry to four equivalent Fe(1), two equivalent Au(1), and one B(1) atom.