The material structure described by Rb3Br2Cl is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to five equivalent Br(1) and one Cl(1) atom to form RbBr5Cl octahedra that share  a cornercorner with one Rb(2)Br2Cl4 octahedra, corners with five equivalent Rb(1)Br5Cl octahedra, edges with four equivalent Rb(2)Br2Cl4 octahedra, and edges with eight equivalent Rb(1)Br5Cl octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Rb site, Rb(2) is bonded to two equivalent Br(1) and four equivalent Cl(1) atoms to form RbBr2Cl4 octahedra that share corners with two equivalent Rb(1)Br5Cl octahedra, corners with four equivalent Rb(2)Br2Cl4 octahedra, edges with four equivalent Rb(2)Br2Cl4 octahedra, and edges with eight equivalent Rb(1)Br5Cl octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to one Rb(2) and five equivalent Rb(1) atoms to form BrRb6 octahedra that share  a cornercorner with one Cl(1)Rb6 octahedra, corners with five equivalent Br(1)Rb6 octahedra, edges with four equivalent Cl(1)Rb6 octahedra, and edges with eight equivalent Br(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Cl(1) is bonded to two equivalent Rb(1) and four equivalent Rb(2) atoms to form ClRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent Cl(1)Rb6 octahedra, edges with four equivalent Cl(1)Rb6 octahedra, and edges with eight equivalent Br(1)Rb6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Rb3Br2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.789
_cell_length_b   10.789
_cell_length_c   10.789
_cell_angle_alpha   154.104
_cell_angle_beta   154.104
_cell_angle_gamma   36.948
_symmetry_Int_Tables_number   1
_cell_volume   239.207
_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  0.664  0.664  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.336  0.336  0.000  1.0
  Br  Br3  1  0.833  0.833  0.000  1.0
  Br  Br4  1  0.167  0.167  0.000  1.0
  Cl  Cl5  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Rb3Br2Cl is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to five equivalent Br(1) and one Cl(1) atom to form RbBr5Cl octahedra that share  a cornercorner with one Rb(2)Br2Cl4 octahedra, corners with five equivalent Rb(1)Br5Cl octahedra, edges with four equivalent Rb(2)Br2Cl4 octahedra, and edges with eight equivalent Rb(1)Br5Cl octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Rb site, Rb(2) is bonded to two equivalent Br(1) and four equivalent Cl(1) atoms to form RbBr2Cl4 octahedra that share corners with two equivalent Rb(1)Br5Cl octahedra, corners with four equivalent Rb(2)Br2Cl4 octahedra, edges with four equivalent Rb(2)Br2Cl4 octahedra, and edges with eight equivalent Rb(1)Br5Cl octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to one Rb(2) and five equivalent Rb(1) atoms to form BrRb6 octahedra that share  a cornercorner with one Cl(1)Rb6 octahedra, corners with five equivalent Br(1)Rb6 octahedra, edges with four equivalent Cl(1)Rb6 octahedra, and edges with eight equivalent Br(1)Rb6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Cl(1) is bonded to two equivalent Rb(1) and four equivalent Rb(2) atoms to form ClRb6 octahedra that share corners with two equivalent Br(1)Rb6 octahedra, corners with four equivalent Cl(1)Rb6 octahedra, edges with four equivalent Cl(1)Rb6 octahedra, and edges with eight equivalent Br(1)Rb6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Rb3Br2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.789
_cell_length_b   10.789
_cell_length_c   10.789
_cell_angle_alpha   154.104
_cell_angle_beta   154.104
_cell_angle_gamma   36.948
_symmetry_Int_Tables_number   1
_cell_volume   239.207
_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  0.664  0.664  0.000  1.0
  Rb  Rb1  1  0.000  0.000  0.000  1.0
  Rb  Rb2  1  0.336  0.336  0.000  1.0
  Br  Br3  1  0.833  0.833  0.000  1.0
  Br  Br4  1  0.167  0.167  0.000  1.0
  Cl  Cl5  1  0.500  0.500  0.000  1.0
[/CIF]
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