The compound described by Rb3I2Br is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Rb site, Rb(2) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. I(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form IRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with five equivalent Br(1)Rb6 octahedra, and edges with seven equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Br(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form BrRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with two equivalent Br(1)Rb6 octahedra, and edges with ten equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3I2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.887
_cell_length_b   8.887
_cell_length_c   8.887
_cell_angle_alpha   146.586
_cell_angle_beta   131.699
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   286.010
_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  0.345  0.345  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.655  0.655  0.000  1.0
  I  I3  1  0.169  0.669  0.500  1.0
  I  I4  1  0.831  0.331  0.500  1.0
  Br  Br5  1  0.500  0.000  0.500  1.0
[/CIF]
.
The compound described by Rb3I2Br is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Rb site, Rb(2) is bonded to four equivalent I(1) and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing RbI4Br2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. I(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form IRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with five equivalent Br(1)Rb6 octahedra, and edges with seven equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Br(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form BrRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent I(1)Rb6 octahedra, edges with two equivalent Br(1)Rb6 octahedra, and edges with ten equivalent I(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3I2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.887
_cell_length_b   8.887
_cell_length_c   8.887
_cell_angle_alpha   146.586
_cell_angle_beta   131.699
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   286.010
_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  0.345  0.345  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.655  0.655  0.000  1.0
  I  I3  1  0.169  0.669  0.500  1.0
  I  I4  1  0.831  0.331  0.500  1.0
  Br  Br5  1  0.500  0.000  0.500  1.0
[/CIF]
.