The material structure described by Rb4YbI6 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 I(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to eight equivalent I(1) atoms. Yb(1) is bonded in an octahedral geometry to six equivalent I(1) atoms. I(1) is bonded to one Rb(1), four equivalent Rb(2), and one Yb(1) atom to form a mixture of distorted face, corner, and edge-sharing IRb5Yb octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Rb4YbI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.076
_cell_length_b   10.076
_cell_length_c   10.076
_cell_angle_alpha   89.541
_cell_angle_beta   89.541
_cell_angle_gamma   89.541
_symmetry_Int_Tables_number   1
_cell_volume   1022.902
_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  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.870  0.630  0.250  1.0
  Rb  Rb3  1  0.630  0.250  0.870  1.0
  Rb  Rb4  1  0.250  0.870  0.630  1.0
  Rb  Rb5  1  0.130  0.370  0.750  1.0
  Rb  Rb6  1  0.370  0.750  0.130  1.0
  Rb  Rb7  1  0.750  0.130  0.370  1.0
  Yb  Yb8  1  0.000  0.000  0.000  1.0
  Yb  Yb9  1  0.500  0.500  0.500  1.0
  I  I10  1  0.204  0.558  0.431  1.0
  I  I11  1  0.058  0.704  0.931  1.0
  I  I12  1  0.931  0.058  0.704  1.0
  I  I13  1  0.796  0.442  0.569  1.0
  I  I14  1  0.704  0.931  0.058  1.0
  I  I15  1  0.442  0.569  0.796  1.0
  I  I16  1  0.569  0.796  0.442  1.0
  I  I17  1  0.558  0.431  0.204  1.0
  I  I18  1  0.069  0.942  0.296  1.0
  I  I19  1  0.942  0.296  0.069  1.0
  I  I20  1  0.296  0.069  0.942  1.0
  I  I21  1  0.431  0.204  0.558  1.0
[/CIF]
.
The material structure described by Rb4YbI6 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 I(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to eight equivalent I(1) atoms. Yb(1) is bonded in an octahedral geometry to six equivalent I(1) atoms. I(1) is bonded to one Rb(1), four equivalent Rb(2), and one Yb(1) atom to form a mixture of distorted face, corner, and edge-sharing IRb5Yb octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_Rb4YbI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.076
_cell_length_b   10.076
_cell_length_c   10.076
_cell_angle_alpha   89.541
_cell_angle_beta   89.541
_cell_angle_gamma   89.541
_symmetry_Int_Tables_number   1
_cell_volume   1022.902
_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  0.250  0.250  0.250  1.0
  Rb  Rb1  1  0.750  0.750  0.750  1.0
  Rb  Rb2  1  0.870  0.630  0.250  1.0
  Rb  Rb3  1  0.630  0.250  0.870  1.0
  Rb  Rb4  1  0.250  0.870  0.630  1.0
  Rb  Rb5  1  0.130  0.370  0.750  1.0
  Rb  Rb6  1  0.370  0.750  0.130  1.0
  Rb  Rb7  1  0.750  0.130  0.370  1.0
  Yb  Yb8  1  0.000  0.000  0.000  1.0
  Yb  Yb9  1  0.500  0.500  0.500  1.0
  I  I10  1  0.204  0.558  0.431  1.0
  I  I11  1  0.058  0.704  0.931  1.0
  I  I12  1  0.931  0.058  0.704  1.0
  I  I13  1  0.796  0.442  0.569  1.0
  I  I14  1  0.704  0.931  0.058  1.0
  I  I15  1  0.442  0.569  0.796  1.0
  I  I16  1  0.569  0.796  0.442  1.0
  I  I17  1  0.558  0.431  0.204  1.0
  I  I18  1  0.069  0.942  0.296  1.0
  I  I19  1  0.942  0.296  0.069  1.0
  I  I20  1  0.296  0.069  0.942  1.0
  I  I21  1  0.431  0.204  0.558  1.0
[/CIF]
.