The material structure described by Rb3Mo2Br9 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 Br(1) and six equivalent Br(2) atoms to form RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra and faces with six equivalent Mo(1)Br6 octahedra. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to nine equivalent Br(1) atoms. Mo(1) is bonded to three equivalent Br(1) and three equivalent Br(2) atoms to form MoBr6 octahedra that share faces with three equivalent Rb(1)Br12 cuboctahedra and  a faceface with one Mo(1)Br6 octahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to one Rb(1), three equivalent Rb(2), and one Mo(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb4Mo square pyramids. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Rb3Mo2Br9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.712
_cell_length_b   7.712
_cell_length_c   18.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   968.340
_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  0.000  0.000  0.750  1.0
  Rb  Rb2  1  0.333  0.667  0.063  1.0
  Rb  Rb3  1  0.667  0.333  0.563  1.0
  Rb  Rb4  1  0.333  0.667  0.437  1.0
  Rb  Rb5  1  0.667  0.333  0.937  1.0
  Mo  Mo6  1  0.333  0.667  0.826  1.0
  Mo  Mo7  1  0.667  0.333  0.326  1.0
  Mo  Mo8  1  0.667  0.333  0.174  1.0
  Mo  Mo9  1  0.333  0.667  0.674  1.0
  Br  Br10  1  0.824  0.176  0.406  1.0
  Br  Br11  1  0.824  0.649  0.406  1.0
  Br  Br12  1  0.351  0.176  0.406  1.0
  Br  Br13  1  0.649  0.824  0.906  1.0
  Br  Br14  1  0.176  0.351  0.594  1.0
  Br  Br15  1  0.176  0.824  0.906  1.0
  Br  Br16  1  0.176  0.351  0.906  1.0
  Br  Br17  1  0.824  0.176  0.094  1.0
  Br  Br18  1  0.351  0.176  0.094  1.0
  Br  Br19  1  0.649  0.824  0.594  1.0
  Br  Br20  1  0.502  0.003  0.250  1.0
  Br  Br21  1  0.498  0.502  0.750  1.0
  Br  Br22  1  0.003  0.502  0.750  1.0
  Br  Br23  1  0.997  0.498  0.250  1.0
  Br  Br24  1  0.502  0.498  0.250  1.0
  Br  Br25  1  0.498  0.997  0.750  1.0
  Br  Br26  1  0.824  0.649  0.094  1.0
  Br  Br27  1  0.176  0.824  0.594  1.0
[/CIF]
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The material structure described by Rb3Mo2Br9 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 Br(1) and six equivalent Br(2) atoms to form RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra and faces with six equivalent Mo(1)Br6 octahedra. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to nine equivalent Br(1) atoms. Mo(1) is bonded to three equivalent Br(1) and three equivalent Br(2) atoms to form MoBr6 octahedra that share faces with three equivalent Rb(1)Br12 cuboctahedra and  a faceface with one Mo(1)Br6 octahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to one Rb(1), three equivalent Rb(2), and one Mo(1) atom to form a mixture of distorted face, corner, and edge-sharing BrRb4Mo square pyramids. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to two equivalent Rb(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Rb3Mo2Br9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.712
_cell_length_b   7.712
_cell_length_c   18.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   968.340
_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  0.000  0.000  0.750  1.0
  Rb  Rb2  1  0.333  0.667  0.063  1.0
  Rb  Rb3  1  0.667  0.333  0.563  1.0
  Rb  Rb4  1  0.333  0.667  0.437  1.0
  Rb  Rb5  1  0.667  0.333  0.937  1.0
  Mo  Mo6  1  0.333  0.667  0.826  1.0
  Mo  Mo7  1  0.667  0.333  0.326  1.0
  Mo  Mo8  1  0.667  0.333  0.174  1.0
  Mo  Mo9  1  0.333  0.667  0.674  1.0
  Br  Br10  1  0.824  0.176  0.406  1.0
  Br  Br11  1  0.824  0.649  0.406  1.0
  Br  Br12  1  0.351  0.176  0.406  1.0
  Br  Br13  1  0.649  0.824  0.906  1.0
  Br  Br14  1  0.176  0.351  0.594  1.0
  Br  Br15  1  0.176  0.824  0.906  1.0
  Br  Br16  1  0.176  0.351  0.906  1.0
  Br  Br17  1  0.824  0.176  0.094  1.0
  Br  Br18  1  0.351  0.176  0.094  1.0
  Br  Br19  1  0.649  0.824  0.594  1.0
  Br  Br20  1  0.502  0.003  0.250  1.0
  Br  Br21  1  0.498  0.502  0.750  1.0
  Br  Br22  1  0.003  0.502  0.750  1.0
  Br  Br23  1  0.997  0.498  0.250  1.0
  Br  Br24  1  0.502  0.498  0.250  1.0
  Br  Br25  1  0.498  0.997  0.750  1.0
  Br  Br26  1  0.824  0.649  0.094  1.0
  Br  Br27  1  0.176  0.824  0.594  1.0
[/CIF]
.