The structure described by Rb4CdCl6 crystallizes in the trigonal R-3c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to eight equivalent Cl(1) atoms. Cd(1) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. Cl(1) is bonded to one Rb(1), four equivalent Rb(2), and one Cd(1) atom to form a mixture of distorted edge, face, and corner-sharing ClRb5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4CdCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   8.898
_cell_length_c   8.898
_cell_angle_alpha   89.246
_cell_angle_beta   89.246
_cell_angle_gamma   89.246
_symmetry_Int_Tables_number   1
_cell_volume   704.312
_cell_formula_units_Z   2
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  0.874  0.250  0.626  1.0
  Rb  Rb3  1  0.626  0.874  0.250  1.0
  Rb  Rb4  1  0.250  0.626  0.874  1.0
  Rb  Rb5  1  0.126  0.750  0.374  1.0
  Rb  Rb6  1  0.374  0.126  0.750  1.0
  Rb  Rb7  1  0.750  0.374  0.126  1.0
  Cd  Cd8  1  0.500  0.500  0.500  1.0
  Cd  Cd9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.287  0.941  0.069  1.0
  Cl  Cl11  1  0.069  0.287  0.941  1.0
  Cl  Cl12  1  0.941  0.069  0.287  1.0
  Cl  Cl13  1  0.213  0.431  0.559  1.0
  Cl  Cl14  1  0.559  0.213  0.431  1.0
  Cl  Cl15  1  0.431  0.559  0.213  1.0
  Cl  Cl16  1  0.713  0.059  0.931  1.0
  Cl  Cl17  1  0.931  0.713  0.059  1.0
  Cl  Cl18  1  0.059  0.931  0.713  1.0
  Cl  Cl19  1  0.787  0.569  0.441  1.0
  Cl  Cl20  1  0.569  0.441  0.787  1.0
  Cl  Cl21  1  0.441  0.787  0.569  1.0
[/CIF]
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The structure described by Rb4CdCl6 crystallizes in the trigonal R-3c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to eight equivalent Cl(1) atoms. Cd(1) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. Cl(1) is bonded to one Rb(1), four equivalent Rb(2), and one Cd(1) atom to form a mixture of distorted edge, face, and corner-sharing ClRb5Cd octahedra. The corner-sharing octahedral tilt angles range from 0-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4CdCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   8.898
_cell_length_c   8.898
_cell_angle_alpha   89.246
_cell_angle_beta   89.246
_cell_angle_gamma   89.246
_symmetry_Int_Tables_number   1
_cell_volume   704.312
_cell_formula_units_Z   2
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  0.874  0.250  0.626  1.0
  Rb  Rb3  1  0.626  0.874  0.250  1.0
  Rb  Rb4  1  0.250  0.626  0.874  1.0
  Rb  Rb5  1  0.126  0.750  0.374  1.0
  Rb  Rb6  1  0.374  0.126  0.750  1.0
  Rb  Rb7  1  0.750  0.374  0.126  1.0
  Cd  Cd8  1  0.500  0.500  0.500  1.0
  Cd  Cd9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.287  0.941  0.069  1.0
  Cl  Cl11  1  0.069  0.287  0.941  1.0
  Cl  Cl12  1  0.941  0.069  0.287  1.0
  Cl  Cl13  1  0.213  0.431  0.559  1.0
  Cl  Cl14  1  0.559  0.213  0.431  1.0
  Cl  Cl15  1  0.431  0.559  0.213  1.0
  Cl  Cl16  1  0.713  0.059  0.931  1.0
  Cl  Cl17  1  0.931  0.713  0.059  1.0
  Cl  Cl18  1  0.059  0.931  0.713  1.0
  Cl  Cl19  1  0.787  0.569  0.441  1.0
  Cl  Cl20  1  0.569  0.441  0.787  1.0
  Cl  Cl21  1  0.441  0.787  0.569  1.0
[/CIF]
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