The compound described by RbAuBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with eight equivalent Au(1)Br6 octahedra. Au(1) is bonded to six equivalent Br(1) atoms to form AuBr6 octahedra that share corners with six equivalent Au(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent Rb(1) and two equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing BrRb4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_RbAuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.437
_cell_length_c   5.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.722
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Au  Au1  1  0.000  0.000  0.000  1.0
  Br  Br2  1  0.500  0.000  0.000  1.0
  Br  Br3  1  0.000  0.000  0.500  1.0
  Br  Br4  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by RbAuBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Rb(1) is bonded to twelve equivalent Br(1) atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with eight equivalent Au(1)Br6 octahedra. Au(1) is bonded to six equivalent Br(1) atoms to form AuBr6 octahedra that share corners with six equivalent Au(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent Rb(1) and two equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing BrRb4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_RbAuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.437
_cell_length_c   5.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.722
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Au  Au1  1  0.000  0.000  0.000  1.0
  Br  Br2  1  0.500  0.000  0.000  1.0
  Br  Br3  1  0.000  0.000  0.500  1.0
  Br  Br4  1  0.000  0.500  0.000  1.0
[/CIF]
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