The material described by KAuBr4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(4), and three equivalent Br(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent Br(1) and two equivalent Br(4) atoms. In the second Au site, Au(2) is bonded in a square co-planar geometry to two equivalent Br(2) and two equivalent Br(3) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Au(1) atom. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Au(2) atom. In the third Br site, Br(3) is bonded to three equivalent K(1) and one Au(2) atom to form a mixture of distorted corner and edge-sharing BrK3Au tetrahedra. In the fourth Br site, Br(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Au(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAuBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.700
_cell_length_b   9.258
_cell_length_c   12.941
_cell_angle_alpha   82.502
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.870
_cell_formula_units_Z   4
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
  K  K0  1  0.558  0.209  0.818  1.0
  K  K1  1  0.942  0.209  0.318  1.0
  K  K2  1  0.442  0.791  0.182  1.0
  K  K3  1  0.058  0.791  0.682  1.0
  Au  Au4  1  0.500  0.500  0.500  1.0
  Au  Au5  1  0.000  0.500  0.000  1.0
  Au  Au6  1  0.500  0.000  0.500  1.0
  Au  Au7  1  0.000  0.000  0.000  1.0
  Br  Br8  1  0.238  0.668  0.426  1.0
  Br  Br9  1  0.262  0.668  0.926  1.0
  Br  Br10  1  0.762  0.332  0.574  1.0
  Br  Br11  1  0.738  0.332  0.074  1.0
  Br  Br12  1  0.704  0.866  0.953  1.0
  Br  Br13  1  0.204  0.134  0.547  1.0
  Br  Br14  1  0.296  0.134  0.047  1.0
  Br  Br15  1  0.796  0.866  0.453  1.0
  Br  Br16  1  0.058  0.091  0.815  1.0
  Br  Br17  1  0.558  0.909  0.685  1.0
  Br  Br18  1  0.942  0.909  0.185  1.0
  Br  Br19  1  0.442  0.091  0.315  1.0
  Br  Br20  1  0.848  0.504  0.827  1.0
  Br  Br21  1  0.348  0.496  0.673  1.0
  Br  Br22  1  0.152  0.496  0.173  1.0
  Br  Br23  1  0.652  0.504  0.327  1.0
[/CIF]
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The material described by KAuBr4 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(4), and three equivalent Br(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a square co-planar geometry to two equivalent Br(1) and two equivalent Br(4) atoms. In the second Au site, Au(2) is bonded in a square co-planar geometry to two equivalent Br(2) and two equivalent Br(3) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Au(1) atom. In the second Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Au(2) atom. In the third Br site, Br(3) is bonded to three equivalent K(1) and one Au(2) atom to form a mixture of distorted corner and edge-sharing BrK3Au tetrahedra. In the fourth Br site, Br(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent K(1) and one Au(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAuBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.700
_cell_length_b   9.258
_cell_length_c   12.941
_cell_angle_alpha   82.502
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.870
_cell_formula_units_Z   4
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
  K  K0  1  0.558  0.209  0.818  1.0
  K  K1  1  0.942  0.209  0.318  1.0
  K  K2  1  0.442  0.791  0.182  1.0
  K  K3  1  0.058  0.791  0.682  1.0
  Au  Au4  1  0.500  0.500  0.500  1.0
  Au  Au5  1  0.000  0.500  0.000  1.0
  Au  Au6  1  0.500  0.000  0.500  1.0
  Au  Au7  1  0.000  0.000  0.000  1.0
  Br  Br8  1  0.238  0.668  0.426  1.0
  Br  Br9  1  0.262  0.668  0.926  1.0
  Br  Br10  1  0.762  0.332  0.574  1.0
  Br  Br11  1  0.738  0.332  0.074  1.0
  Br  Br12  1  0.704  0.866  0.953  1.0
  Br  Br13  1  0.204  0.134  0.547  1.0
  Br  Br14  1  0.296  0.134  0.047  1.0
  Br  Br15  1  0.796  0.866  0.453  1.0
  Br  Br16  1  0.058  0.091  0.815  1.0
  Br  Br17  1  0.558  0.909  0.685  1.0
  Br  Br18  1  0.942  0.909  0.185  1.0
  Br  Br19  1  0.442  0.091  0.315  1.0
  Br  Br20  1  0.848  0.504  0.827  1.0
  Br  Br21  1  0.348  0.496  0.673  1.0
  Br  Br22  1  0.152  0.496  0.173  1.0
  Br  Br23  1  0.652  0.504  0.327  1.0
[/CIF]
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