The structure described by Au3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent Br(1) atoms to form distorted AuAu8Br4 cuboctahedra that share corners with twelve equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Au8Br4 cuboctahedra. In the second Au site, Au(2) is bonded in a distorted square co-planar geometry to eight equivalent Au(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form BrAu12 cuboctahedra that share corners with four equivalent Br(1)Au12 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Au8Br4 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Au8Br4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Au3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.380
_cell_length_c   5.380
_cell_angle_alpha   134.011
_cell_angle_beta   134.011
_cell_angle_gamma   67.071
_symmetry_Int_Tables_number   1
_cell_volume   79.226
_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
  Au  Au0  1  0.750  0.250  0.500  1.0
  Au  Au1  1  0.250  0.750  0.500  1.0
  Au  Au2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Au3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent Br(1) atoms to form distorted AuAu8Br4 cuboctahedra that share corners with twelve equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Au(1)Au8Br4 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)Au8Br4 cuboctahedra. In the second Au site, Au(2) is bonded in a distorted square co-planar geometry to eight equivalent Au(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form BrAu12 cuboctahedra that share corners with four equivalent Br(1)Au12 cuboctahedra, edges with eight equivalent Br(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)Au8Br4 cuboctahedra, faces with four equivalent Br(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)Au8Br4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Au3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.380
_cell_length_c   5.380
_cell_angle_alpha   134.011
_cell_angle_beta   134.011
_cell_angle_gamma   67.071
_symmetry_Int_Tables_number   1
_cell_volume   79.226
_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
  Au  Au0  1  0.750  0.250  0.500  1.0
  Au  Au1  1  0.250  0.750  0.500  1.0
  Au  Au2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
[/CIF]
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