The material described by Rb4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent I(1) atoms. In the second Rb site, Rb(2) is bonded in a distorted single-bond geometry to one O(1) and five equivalent I(1) atoms. O(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 9-coordinate geometry to four equivalent Rb(1) and five equivalent Rb(2) atoms. is represented by the CIF card [CIF]
data_Rb4I2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.945
_cell_length_b   9.945
_cell_length_c   9.945
_cell_angle_alpha   147.511
_cell_angle_beta   147.511
_cell_angle_gamma   46.608
_symmetry_Int_Tables_number   1
_cell_volume   282.751
_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  0.500  0.000  0.500  1.0
  Rb  Rb1  1  0.148  0.148  0.000  1.0
  Rb  Rb2  1  0.852  0.852  0.000  1.0
  Rb  Rb3  1  0.000  0.500  0.500  1.0
  I  I4  1  0.355  0.355  0.000  1.0
  I  I5  1  0.645  0.645  0.000  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Rb4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent I(1) atoms. In the second Rb site, Rb(2) is bonded in a distorted single-bond geometry to one O(1) and five equivalent I(1) atoms. O(1) is bonded to two equivalent Rb(2) and four equivalent Rb(1) atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 9-coordinate geometry to four equivalent Rb(1) and five equivalent Rb(2) atoms. is represented by the CIF card [CIF]
data_Rb4I2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.945
_cell_length_b   9.945
_cell_length_c   9.945
_cell_angle_alpha   147.511
_cell_angle_beta   147.511
_cell_angle_gamma   46.608
_symmetry_Int_Tables_number   1
_cell_volume   282.751
_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  0.500  0.000  0.500  1.0
  Rb  Rb1  1  0.148  0.148  0.000  1.0
  Rb  Rb2  1  0.852  0.852  0.000  1.0
  Rb  Rb3  1  0.000  0.500  0.500  1.0
  I  I4  1  0.355  0.355  0.000  1.0
  I  I5  1  0.645  0.645  0.000  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
.