The material structure described by Cs2RbLuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, faces with four equivalent Rb(1)Cl6 octahedra, and faces with four equivalent Lu(1)Cl6 octahedra. Rb(1) is bonded to six equivalent Cl(1) atoms to form RbCl6 octahedra that share corners with six equivalent Lu(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Lu(1) is bonded to six equivalent Cl(1) atoms to form LuCl6 octahedra that share corners with six equivalent Rb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Rb(1), and one Lu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2RbLuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.108
_cell_length_b   8.108
_cell_length_c   8.108
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   376.922
_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  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Lu  Lu3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.775  0.225  0.225  1.0
  Cl  Cl5  1  0.225  0.225  0.775  1.0
  Cl  Cl6  1  0.225  0.775  0.775  1.0
  Cl  Cl7  1  0.225  0.775  0.225  1.0
  Cl  Cl8  1  0.775  0.225  0.775  1.0
  Cl  Cl9  1  0.775  0.775  0.225  1.0
[/CIF]
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The material structure described by Cs2RbLuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, faces with four equivalent Rb(1)Cl6 octahedra, and faces with four equivalent Lu(1)Cl6 octahedra. Rb(1) is bonded to six equivalent Cl(1) atoms to form RbCl6 octahedra that share corners with six equivalent Lu(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Lu(1) is bonded to six equivalent Cl(1) atoms to form LuCl6 octahedra that share corners with six equivalent Rb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Rb(1), and one Lu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2RbLuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.108
_cell_length_b   8.108
_cell_length_c   8.108
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   376.922
_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  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Lu  Lu3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.775  0.225  0.225  1.0
  Cl  Cl5  1  0.225  0.225  0.775  1.0
  Cl  Cl6  1  0.225  0.775  0.775  1.0
  Cl  Cl7  1  0.225  0.775  0.225  1.0
  Cl  Cl8  1  0.775  0.225  0.775  1.0
  Cl  Cl9  1  0.775  0.775  0.225  1.0
[/CIF]
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