The compound described by Rb2Zr(O3I)6 crystallizes in the trigonal R-3 space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Zr(1) is bonded in an octahedral geometry to six equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1) and two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. is represented by the CIF file [CIF]
data_Rb2Zr(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   7.907
_cell_angle_alpha   97.309
_cell_angle_beta   97.309
_cell_angle_gamma   97.309
_symmetry_Int_Tables_number   1
_cell_volume   481.195
_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  0.832  0.832  0.832  1.0
  Rb  Rb1  1  0.168  0.168  0.168  1.0
  Zr  Zr2  1  0.500  0.500  0.500  1.0
  I  I3  1  0.296  0.881  0.665  1.0
  I  I4  1  0.119  0.335  0.704  1.0
  I  I5  1  0.881  0.665  0.296  1.0
  I  I6  1  0.665  0.296  0.881  1.0
  I  I7  1  0.704  0.119  0.335  1.0
  I  I8  1  0.335  0.704  0.119  1.0
  O  O9  1  0.279  0.393  0.898  1.0
  O  O10  1  0.393  0.898  0.279  1.0
  O  O11  1  0.102  0.721  0.607  1.0
  O  O12  1  0.101  0.690  0.083  1.0
  O  O13  1  0.278  0.345  0.547  1.0
  O  O14  1  0.690  0.083  0.101  1.0
  O  O15  1  0.898  0.279  0.393  1.0
  O  O16  1  0.310  0.917  0.899  1.0
  O  O17  1  0.722  0.655  0.453  1.0
  O  O18  1  0.345  0.547  0.278  1.0
  O  O19  1  0.721  0.607  0.102  1.0
  O  O20  1  0.655  0.453  0.722  1.0
  O  O21  1  0.607  0.102  0.721  1.0
  O  O22  1  0.083  0.101  0.690  1.0
  O  O23  1  0.917  0.899  0.310  1.0
  O  O24  1  0.547  0.278  0.345  1.0
  O  O25  1  0.899  0.310  0.917  1.0
  O  O26  1  0.453  0.722  0.655  1.0
[/CIF]
.
The compound described by Rb2Zr(O3I)6 crystallizes in the trigonal R-3 space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Zr(1) is bonded in an octahedral geometry to six equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1) and two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. is represented by the CIF file [CIF]
data_Rb2Zr(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.907
_cell_length_b   7.907
_cell_length_c   7.907
_cell_angle_alpha   97.309
_cell_angle_beta   97.309
_cell_angle_gamma   97.309
_symmetry_Int_Tables_number   1
_cell_volume   481.195
_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  0.832  0.832  0.832  1.0
  Rb  Rb1  1  0.168  0.168  0.168  1.0
  Zr  Zr2  1  0.500  0.500  0.500  1.0
  I  I3  1  0.296  0.881  0.665  1.0
  I  I4  1  0.119  0.335  0.704  1.0
  I  I5  1  0.881  0.665  0.296  1.0
  I  I6  1  0.665  0.296  0.881  1.0
  I  I7  1  0.704  0.119  0.335  1.0
  I  I8  1  0.335  0.704  0.119  1.0
  O  O9  1  0.279  0.393  0.898  1.0
  O  O10  1  0.393  0.898  0.279  1.0
  O  O11  1  0.102  0.721  0.607  1.0
  O  O12  1  0.101  0.690  0.083  1.0
  O  O13  1  0.278  0.345  0.547  1.0
  O  O14  1  0.690  0.083  0.101  1.0
  O  O15  1  0.898  0.279  0.393  1.0
  O  O16  1  0.310  0.917  0.899  1.0
  O  O17  1  0.722  0.655  0.453  1.0
  O  O18  1  0.345  0.547  0.278  1.0
  O  O19  1  0.721  0.607  0.102  1.0
  O  O20  1  0.655  0.453  0.722  1.0
  O  O21  1  0.607  0.102  0.721  1.0
  O  O22  1  0.083  0.101  0.690  1.0
  O  O23  1  0.917  0.899  0.310  1.0
  O  O24  1  0.547  0.278  0.345  1.0
  O  O25  1  0.899  0.310  0.917  1.0
  O  O26  1  0.453  0.722  0.655  1.0
[/CIF]
.