The material structure described by Rb3Mo2Cl9 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent Cl(1) and six equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Rb(2)Cl12 cuboctahedra, faces with six equivalent Rb(2)Cl12 cuboctahedra, and faces with six equivalent Mo(1)Cl6 octahedra. In the second Rb site, Rb(2) is bonded to three equivalent Cl(2) and nine equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with three equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Rb(2)Cl12 cuboctahedra, corners with three equivalent Mo(1)Cl6 octahedra, faces with three equivalent Rb(1)Cl12 cuboctahedra, faces with four equivalent Rb(2)Cl12 cuboctahedra, and faces with four equivalent Mo(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 23°. Mo(1) is bonded to three equivalent Cl(1) and three equivalent Cl(2) atoms to form MoCl6 octahedra that share corners with three equivalent Rb(2)Cl12 cuboctahedra, faces with three equivalent Rb(1)Cl12 cuboctahedra, faces with four equivalent Rb(2)Cl12 cuboctahedra, and  a faceface with one Mo(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(1), three equivalent Rb(2), and one Mo(1) atom to form a mixture of distorted corner, edge, and face-sharing ClRb4Mo square pyramids. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Rb3Mo2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.168
_cell_length_b   7.168
_cell_length_c   17.514
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   779.266
_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  0.000  0.000  0.250  1.0
  Rb  Rb1  1  1.000  0.000  0.750  1.0
  Rb  Rb2  1  0.333  0.667  0.068  1.0
  Rb  Rb3  1  0.667  0.333  0.568  1.0
  Rb  Rb4  1  0.333  0.667  0.432  1.0
  Rb  Rb5  1  0.667  0.333  0.932  1.0
  Mo  Mo6  1  0.333  0.667  0.829  1.0
  Mo  Mo7  1  0.667  0.333  0.329  1.0
  Mo  Mo8  1  0.667  0.333  0.171  1.0
  Mo  Mo9  1  0.333  0.667  0.671  1.0
  Cl  Cl10  1  0.826  0.174  0.407  1.0
  Cl  Cl11  1  0.826  0.651  0.407  1.0
  Cl  Cl12  1  0.349  0.174  0.407  1.0
  Cl  Cl13  1  0.651  0.826  0.907  1.0
  Cl  Cl14  1  0.174  0.349  0.593  1.0
  Cl  Cl15  1  0.174  0.826  0.907  1.0
  Cl  Cl16  1  0.174  0.349  0.907  1.0
  Cl  Cl17  1  0.826  0.174  0.093  1.0
  Cl  Cl18  1  0.349  0.174  0.093  1.0
  Cl  Cl19  1  0.651  0.826  0.593  1.0
  Cl  Cl20  1  0.500  0.000  0.250  1.0
  Cl  Cl21  1  0.500  0.500  0.750  1.0
  Cl  Cl22  1  0.000  0.500  0.750  1.0
  Cl  Cl23  1  1.000  0.500  0.250  1.0
  Cl  Cl24  1  0.500  0.500  0.250  1.0
  Cl  Cl25  1  0.500  1.000  0.750  1.0
  Cl  Cl26  1  0.826  0.651  0.093  1.0
  Cl  Cl27  1  0.174  0.826  0.593  1.0
[/CIF]
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The material structure described by Rb3Mo2Cl9 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to six equivalent Cl(1) and six equivalent Cl(2) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Rb(2)Cl12 cuboctahedra, faces with six equivalent Rb(2)Cl12 cuboctahedra, and faces with six equivalent Mo(1)Cl6 octahedra. In the second Rb site, Rb(2) is bonded to three equivalent Cl(2) and nine equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with three equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Rb(2)Cl12 cuboctahedra, corners with three equivalent Mo(1)Cl6 octahedra, faces with three equivalent Rb(1)Cl12 cuboctahedra, faces with four equivalent Rb(2)Cl12 cuboctahedra, and faces with four equivalent Mo(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 23°. Mo(1) is bonded to three equivalent Cl(1) and three equivalent Cl(2) atoms to form MoCl6 octahedra that share corners with three equivalent Rb(2)Cl12 cuboctahedra, faces with three equivalent Rb(1)Cl12 cuboctahedra, faces with four equivalent Rb(2)Cl12 cuboctahedra, and  a faceface with one Mo(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(1), three equivalent Rb(2), and one Mo(1) atom to form a mixture of distorted corner, edge, and face-sharing ClRb4Mo square pyramids. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Rb3Mo2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.168
_cell_length_b   7.168
_cell_length_c   17.514
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   779.266
_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  0.000  0.000  0.250  1.0
  Rb  Rb1  1  1.000  0.000  0.750  1.0
  Rb  Rb2  1  0.333  0.667  0.068  1.0
  Rb  Rb3  1  0.667  0.333  0.568  1.0
  Rb  Rb4  1  0.333  0.667  0.432  1.0
  Rb  Rb5  1  0.667  0.333  0.932  1.0
  Mo  Mo6  1  0.333  0.667  0.829  1.0
  Mo  Mo7  1  0.667  0.333  0.329  1.0
  Mo  Mo8  1  0.667  0.333  0.171  1.0
  Mo  Mo9  1  0.333  0.667  0.671  1.0
  Cl  Cl10  1  0.826  0.174  0.407  1.0
  Cl  Cl11  1  0.826  0.651  0.407  1.0
  Cl  Cl12  1  0.349  0.174  0.407  1.0
  Cl  Cl13  1  0.651  0.826  0.907  1.0
  Cl  Cl14  1  0.174  0.349  0.593  1.0
  Cl  Cl15  1  0.174  0.826  0.907  1.0
  Cl  Cl16  1  0.174  0.349  0.907  1.0
  Cl  Cl17  1  0.826  0.174  0.093  1.0
  Cl  Cl18  1  0.349  0.174  0.093  1.0
  Cl  Cl19  1  0.651  0.826  0.593  1.0
  Cl  Cl20  1  0.500  0.000  0.250  1.0
  Cl  Cl21  1  0.500  0.500  0.750  1.0
  Cl  Cl22  1  0.000  0.500  0.750  1.0
  Cl  Cl23  1  1.000  0.500  0.250  1.0
  Cl  Cl24  1  0.500  0.500  0.250  1.0
  Cl  Cl25  1  0.500  1.000  0.750  1.0
  Cl  Cl26  1  0.826  0.651  0.093  1.0
  Cl  Cl27  1  0.174  0.826  0.593  1.0
[/CIF]
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