The material described by Rb3GaBr6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to twelve equivalent Br(1) atoms to form distorted RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Rb(2)Br6 octahedra, and faces with four equivalent Ga(1)Br6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent Br(1) atoms to form RbBr6 octahedra that share corners with six equivalent Ga(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Br(1) atoms to form GaBr6 octahedra that share corners with six equivalent Rb(2)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to one Rb(2), four equivalent Rb(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Rb3GaBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.219
_cell_length_b   8.219
_cell_length_c   8.219
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   392.641
_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  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.779  0.221  0.221  1.0
  Br  Br5  1  0.221  0.221  0.779  1.0
  Br  Br6  1  0.221  0.779  0.779  1.0
  Br  Br7  1  0.221  0.779  0.221  1.0
  Br  Br8  1  0.779  0.221  0.779  1.0
  Br  Br9  1  0.779  0.779  0.221  1.0
[/CIF]
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The material described by Rb3GaBr6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to twelve equivalent Br(1) atoms to form distorted RbBr12 cuboctahedra that share corners with twelve equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, faces with four equivalent Rb(2)Br6 octahedra, and faces with four equivalent Ga(1)Br6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent Br(1) atoms to form RbBr6 octahedra that share corners with six equivalent Ga(1)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Br(1) atoms to form GaBr6 octahedra that share corners with six equivalent Rb(2)Br6 octahedra and faces with eight equivalent Rb(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to one Rb(2), four equivalent Rb(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Rb3GaBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.219
_cell_length_b   8.219
_cell_length_c   8.219
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   392.641
_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  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.779  0.221  0.221  1.0
  Br  Br5  1  0.221  0.221  0.779  1.0
  Br  Br6  1  0.221  0.779  0.779  1.0
  Br  Br7  1  0.221  0.779  0.221  1.0
  Br  Br8  1  0.779  0.221  0.779  1.0
  Br  Br9  1  0.779  0.779  0.221  1.0
[/CIF]
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