The compound described by Rb2Mo(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. Mo(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 one I(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Mo(1), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Mo(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.842
_cell_length_b   7.842
_cell_length_c   7.842
_cell_angle_alpha   97.138
_cell_angle_beta   97.138
_cell_angle_gamma   97.138
_symmetry_Int_Tables_number   1
_cell_volume   470.091
_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  0.169  0.169  0.169  1.0
  Rb  Rb1  1  0.831  0.831  0.831  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
  I  I3  1  0.332  0.704  0.132  1.0
  I  I4  1  0.132  0.332  0.704  1.0
  I  I5  1  0.868  0.668  0.296  1.0
  I  I6  1  0.668  0.296  0.868  1.0
  I  I7  1  0.704  0.132  0.332  1.0
  I  I8  1  0.296  0.868  0.668  1.0
  O  O9  1  0.904  0.286  0.390  1.0
  O  O10  1  0.097  0.690  0.089  1.0
  O  O11  1  0.096  0.714  0.610  1.0
  O  O12  1  0.446  0.695  0.678  1.0
  O  O13  1  0.554  0.305  0.322  1.0
  O  O14  1  0.322  0.554  0.305  1.0
  O  O15  1  0.286  0.390  0.904  1.0
  O  O16  1  0.678  0.446  0.695  1.0
  O  O17  1  0.714  0.610  0.096  1.0
  O  O18  1  0.089  0.097  0.690  1.0
  O  O19  1  0.390  0.904  0.286  1.0
  O  O20  1  0.610  0.096  0.714  1.0
  O  O21  1  0.690  0.089  0.097  1.0
  O  O22  1  0.695  0.678  0.446  1.0
  O  O23  1  0.911  0.903  0.310  1.0
  O  O24  1  0.305  0.322  0.554  1.0
  O  O25  1  0.903  0.310  0.911  1.0
  O  O26  1  0.310  0.911  0.903  1.0
[/CIF]
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The compound described by Rb2Mo(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. Mo(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 one I(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Mo(1), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Mo(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.842
_cell_length_b   7.842
_cell_length_c   7.842
_cell_angle_alpha   97.138
_cell_angle_beta   97.138
_cell_angle_gamma   97.138
_symmetry_Int_Tables_number   1
_cell_volume   470.091
_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  0.169  0.169  0.169  1.0
  Rb  Rb1  1  0.831  0.831  0.831  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
  I  I3  1  0.332  0.704  0.132  1.0
  I  I4  1  0.132  0.332  0.704  1.0
  I  I5  1  0.868  0.668  0.296  1.0
  I  I6  1  0.668  0.296  0.868  1.0
  I  I7  1  0.704  0.132  0.332  1.0
  I  I8  1  0.296  0.868  0.668  1.0
  O  O9  1  0.904  0.286  0.390  1.0
  O  O10  1  0.097  0.690  0.089  1.0
  O  O11  1  0.096  0.714  0.610  1.0
  O  O12  1  0.446  0.695  0.678  1.0
  O  O13  1  0.554  0.305  0.322  1.0
  O  O14  1  0.322  0.554  0.305  1.0
  O  O15  1  0.286  0.390  0.904  1.0
  O  O16  1  0.678  0.446  0.695  1.0
  O  O17  1  0.714  0.610  0.096  1.0
  O  O18  1  0.089  0.097  0.690  1.0
  O  O19  1  0.390  0.904  0.286  1.0
  O  O20  1  0.610  0.096  0.714  1.0
  O  O21  1  0.690  0.089  0.097  1.0
  O  O22  1  0.695  0.678  0.446  1.0
  O  O23  1  0.911  0.903  0.310  1.0
  O  O24  1  0.305  0.322  0.554  1.0
  O  O25  1  0.903  0.310  0.911  1.0
  O  O26  1  0.310  0.911  0.903  1.0
[/CIF]
.