The compound described by (Rb)2CsAlBr6 crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-17-7 atoms inside a CsAlBr6 framework. In the CsAlBr6 framework, Cs(1) is bonded to six equivalent Br(1) atoms to form CsBr6 octahedra that share corners with six equivalent Al(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to six equivalent Br(1) atoms to form AlBr6 octahedra that share corners with six equivalent Cs(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to one Cs(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_CsRb2AlBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.345
_cell_length_b   8.345
_cell_length_c   8.345
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   410.898
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.250  0.250  0.250  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.786  0.214  0.214  1.0
  Br  Br5  1  0.214  0.214  0.786  1.0
  Br  Br6  1  0.214  0.786  0.786  1.0
  Br  Br7  1  0.214  0.786  0.214  1.0
  Br  Br8  1  0.786  0.214  0.786  1.0
  Br  Br9  1  0.786  0.786  0.214  1.0
[/CIF]
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The compound described by (Rb)2CsAlBr6 crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-17-7 atoms inside a CsAlBr6 framework. In the CsAlBr6 framework, Cs(1) is bonded to six equivalent Br(1) atoms to form CsBr6 octahedra that share corners with six equivalent Al(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to six equivalent Br(1) atoms to form AlBr6 octahedra that share corners with six equivalent Cs(1)Br6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to one Cs(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_CsRb2AlBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.345
_cell_length_b   8.345
_cell_length_c   8.345
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   410.898
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.250  0.250  0.250  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.786  0.214  0.214  1.0
  Br  Br5  1  0.214  0.214  0.786  1.0
  Br  Br6  1  0.214  0.786  0.786  1.0
  Br  Br7  1  0.214  0.786  0.214  1.0
  Br  Br8  1  0.786  0.214  0.786  1.0
  Br  Br9  1  0.786  0.786  0.214  1.0
[/CIF]
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