The crystal structure described by RbAuBr4 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a distorted q6 geometry to four equivalent Br(2) and six equivalent Br(1) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted T-shaped geometry to two equivalent Rb(1) and one Au(1) atom. In the second Br site, Br(1) is bonded to three equivalent Rb(1) and one Au(1) atom to form a mixture of distorted corner and edge-sharing BrRb3Au tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbAuBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   7.528
_cell_length_c   9.077
_cell_angle_alpha   102.080
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.862
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.500  1.0
  Au  Au2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.015  0.262  0.880  1.0
  Br  Br5  1  0.515  0.238  0.620  1.0
  Br  Br6  1  0.985  0.738  0.120  1.0
  Br  Br7  1  0.485  0.762  0.380  1.0
  Br  Br8  1  0.708  0.870  0.828  1.0
  Br  Br9  1  0.208  0.630  0.672  1.0
  Br  Br10  1  0.292  0.130  0.172  1.0
  Br  Br11  1  0.792  0.370  0.328  1.0
[/CIF]
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The crystal structure described by RbAuBr4 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a distorted q6 geometry to four equivalent Br(2) and six equivalent Br(1) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded in a distorted T-shaped geometry to two equivalent Rb(1) and one Au(1) atom. In the second Br site, Br(1) is bonded to three equivalent Rb(1) and one Au(1) atom to form a mixture of distorted corner and edge-sharing BrRb3Au tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbAuBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   7.528
_cell_length_c   9.077
_cell_angle_alpha   102.080
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.862
_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
  Rb  Rb0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.500  1.0
  Au  Au2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.015  0.262  0.880  1.0
  Br  Br5  1  0.515  0.238  0.620  1.0
  Br  Br6  1  0.985  0.738  0.120  1.0
  Br  Br7  1  0.485  0.762  0.380  1.0
  Br  Br8  1  0.708  0.870  0.828  1.0
  Br  Br9  1  0.208  0.630  0.672  1.0
  Br  Br10  1  0.292  0.130  0.172  1.0
  Br  Br11  1  0.792  0.370  0.328  1.0
[/CIF]
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