data_B2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   140.85
_cell_angle_beta   140.85
_cell_angle_gamma   56.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Au
_chemical_formula_sum   'B4 Au2'
_cell_volume   65.18
_cell_formula_units_Z   2
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
  B  B2  1  0.65  0.18  0.0  1.0
  B  B3  1  0.18  0.65  0.83  1.0
  B  B4  1  0.49  0.65  0.0  1.0
  B  B5  1  0.35  0.18  0.83  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0
  Au  Au1  1  0.0  0.0  0.41  1.0

data_B2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.48
_cell_angle_alpha   109.58
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Au
_chemical_formula_sum   'B4 Au2'
_cell_volume   65.18
_cell_formula_units_Z   2
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
  B  B0  1  0.17  0.65  0.99  1.0
  B  B1  1  0.35  0.51  0.86  1.0
  B  B2  1  0.65  0.48  0.3  1.0
  B  B3  1  0.82  0.35  0.16  1.0
  Au  Au4  1  0.24  0.24  0.24  1.0
  Au  Au5  1  0.41  0.41  0.41  1.0

B B B B Au Au
AuB2 crystallizes in the triclinic P1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to one Au(2), one B(1), one B(4), and two equivalent B(2) atoms. The Au(1)-Au(2) bond length is 0.94 Å. The Au(1)-B(1) bond length is 1.56 Å. The Au(1)-B(4) bond length is 1.60 Å. There is one shorter (2.13 Å) and one longer (2.30 Å) Au(1)-B(2) bond length. In the second Au site, Au(2) is bonded in a 3-coordinate geometry to one Au(1), one B(3), and one B(4) atom. The Au(2)-B(3) bond length is 2.42 Å. The Au(2)-B(4) bond length is 1.28 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a distorted bent 120 degrees geometry to one Au(1) and one B(4) atom. The B(1)-B(4) bond length is 1.13 Å. In the second B site, B(2) is bonded in a 2-coordinate geometry to two equivalent Au(1) and one B(3) atom. The B(2)-B(3) bond length is 1.13 Å. In the third B site, B(3) is bonded in a distorted bent 150 degrees geometry to one Au(2) and one B(2) atom. In the fourth B site, B(4) is bonded in a 3-coordinate geometry to one Au(1), one Au(2), and one B(1) atom.