The compound described by RbMoO6I crystallizes in the orthorhombic Pna2_1 space group. Rb(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Mo(1), and one I(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Mo(1), and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Rb(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Rb(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(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbMoIO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.499
_cell_length_b   7.847
_cell_length_c   10.465
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.819
_cell_formula_units_Z   4
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  0.863  0.018  0.618  1.0
  Rb  Rb1  1  0.363  0.982  0.382  1.0
  Rb  Rb2  1  0.863  0.518  0.882  1.0
  Rb  Rb3  1  0.363  0.482  0.118  1.0
  Mo  Mo4  1  0.095  0.508  0.529  1.0
  Mo  Mo5  1  0.595  0.492  0.471  1.0
  Mo  Mo6  1  0.095  0.008  0.971  1.0
  Mo  Mo7  1  0.595  0.992  0.029  1.0
  I  I8  1  0.431  0.279  0.741  1.0
  I  I9  1  0.931  0.221  0.241  1.0
  I  I10  1  0.931  0.721  0.259  1.0
  I  I11  1  0.431  0.779  0.759  1.0
  O  O12  1  0.048  0.279  0.390  1.0
  O  O13  1  0.634  0.363  0.659  1.0
  O  O14  1  0.048  0.779  0.110  1.0
  O  O15  1  0.532  0.132  0.151  1.0
  O  O16  1  0.134  0.137  0.159  1.0
  O  O17  1  0.032  0.868  0.849  1.0
  O  O18  1  0.130  0.702  0.609  1.0
  O  O19  1  0.339  0.438  0.519  1.0
  O  O20  1  0.548  0.721  0.610  1.0
  O  O21  1  0.634  0.863  0.841  1.0
  O  O22  1  0.630  0.798  0.109  1.0
  O  O23  1  0.032  0.368  0.651  1.0
  O  O24  1  0.532  0.632  0.349  1.0
  O  O25  1  0.422  0.572  0.843  1.0
  O  O26  1  0.422  0.072  0.657  1.0
  O  O27  1  0.839  0.562  0.481  1.0
  O  O28  1  0.922  0.428  0.157  1.0
  O  O29  1  0.339  0.938  0.981  1.0
  O  O30  1  0.548  0.221  0.890  1.0
  O  O31  1  0.922  0.928  0.343  1.0
  O  O32  1  0.134  0.637  0.341  1.0
  O  O33  1  0.130  0.202  0.891  1.0
  O  O34  1  0.839  0.062  0.019  1.0
  O  O35  1  0.630  0.298  0.391  1.0
[/CIF]
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The compound described by RbMoO6I crystallizes in the orthorhombic Pna2_1 space group. Rb(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Mo(1), and one I(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Mo(1), and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Rb(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Rb(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(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbMoIO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.499
_cell_length_b   7.847
_cell_length_c   10.465
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.819
_cell_formula_units_Z   4
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  0.863  0.018  0.618  1.0
  Rb  Rb1  1  0.363  0.982  0.382  1.0
  Rb  Rb2  1  0.863  0.518  0.882  1.0
  Rb  Rb3  1  0.363  0.482  0.118  1.0
  Mo  Mo4  1  0.095  0.508  0.529  1.0
  Mo  Mo5  1  0.595  0.492  0.471  1.0
  Mo  Mo6  1  0.095  0.008  0.971  1.0
  Mo  Mo7  1  0.595  0.992  0.029  1.0
  I  I8  1  0.431  0.279  0.741  1.0
  I  I9  1  0.931  0.221  0.241  1.0
  I  I10  1  0.931  0.721  0.259  1.0
  I  I11  1  0.431  0.779  0.759  1.0
  O  O12  1  0.048  0.279  0.390  1.0
  O  O13  1  0.634  0.363  0.659  1.0
  O  O14  1  0.048  0.779  0.110  1.0
  O  O15  1  0.532  0.132  0.151  1.0
  O  O16  1  0.134  0.137  0.159  1.0
  O  O17  1  0.032  0.868  0.849  1.0
  O  O18  1  0.130  0.702  0.609  1.0
  O  O19  1  0.339  0.438  0.519  1.0
  O  O20  1  0.548  0.721  0.610  1.0
  O  O21  1  0.634  0.863  0.841  1.0
  O  O22  1  0.630  0.798  0.109  1.0
  O  O23  1  0.032  0.368  0.651  1.0
  O  O24  1  0.532  0.632  0.349  1.0
  O  O25  1  0.422  0.572  0.843  1.0
  O  O26  1  0.422  0.072  0.657  1.0
  O  O27  1  0.839  0.562  0.481  1.0
  O  O28  1  0.922  0.428  0.157  1.0
  O  O29  1  0.339  0.938  0.981  1.0
  O  O30  1  0.548  0.221  0.890  1.0
  O  O31  1  0.922  0.928  0.343  1.0
  O  O32  1  0.134  0.637  0.341  1.0
  O  O33  1  0.130  0.202  0.891  1.0
  O  O34  1  0.839  0.062  0.019  1.0
  O  O35  1  0.630  0.298  0.391  1.0
[/CIF]
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