The structure described by Rb3InCl6 is (Cubic) Perovskite-like structured and 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 Cl(1) atoms to form distorted RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, faces with four equivalent Rb(2)Cl6 octahedra, and faces with four equivalent In(1)Cl6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent Cl(1) atoms to form RbCl6 octahedra that share corners with six equivalent In(1)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent Cl(1) atoms to form InCl6 octahedra that share corners with six equivalent Rb(2)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a linear geometry to one Rb(2), four equivalent Rb(1), and one In(1) atom. is represented by the CIF card [CIF]
data_Rb3InCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.870
_cell_length_b   7.870
_cell_length_c   7.870
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   344.635
_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
  In  In3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.774  0.226  0.226  1.0
  Cl  Cl5  1  0.226  0.226  0.774  1.0
  Cl  Cl6  1  0.226  0.774  0.774  1.0
  Cl  Cl7  1  0.226  0.774  0.226  1.0
  Cl  Cl8  1  0.774  0.226  0.774  1.0
  Cl  Cl9  1  0.774  0.774  0.226  1.0
[/CIF]
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The structure described by Rb3InCl6 is (Cubic) Perovskite-like structured and 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 Cl(1) atoms to form distorted RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, faces with four equivalent Rb(2)Cl6 octahedra, and faces with four equivalent In(1)Cl6 octahedra. In the second Rb site, Rb(2) is bonded to six equivalent Cl(1) atoms to form RbCl6 octahedra that share corners with six equivalent In(1)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent Cl(1) atoms to form InCl6 octahedra that share corners with six equivalent Rb(2)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a linear geometry to one Rb(2), four equivalent Rb(1), and one In(1) atom. is represented by the CIF card [CIF]
data_Rb3InCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.870
_cell_length_b   7.870
_cell_length_c   7.870
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   344.635
_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
  In  In3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.774  0.226  0.226  1.0
  Cl  Cl5  1  0.226  0.226  0.774  1.0
  Cl  Cl6  1  0.226  0.774  0.774  1.0
  Cl  Cl7  1  0.226  0.774  0.226  1.0
  Cl  Cl8  1  0.774  0.226  0.774  1.0
  Cl  Cl9  1  0.774  0.774  0.226  1.0
[/CIF]
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