The material described by RbV5S8 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent S(4), four equivalent S(1), and four equivalent S(3) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second V site, V(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(1) atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the third V site, V(3) is bonded to one S(4), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1) and three equivalent V(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent V(2) and three equivalent V(3) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one V(1), and two equivalent V(3) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Rb(1), one V(2), one V(3), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_RbV5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.292
_cell_length_b   8.546
_cell_length_c   9.050
_cell_angle_alpha   104.094
_cell_angle_beta   100.480
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.582
_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  0.500  0.000  0.000  1.0
  V  V1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.289  0.144  0.578  1.0
  V  V3  1  0.711  0.856  0.422  1.0
  V  V4  1  0.351  0.502  0.702  1.0
  V  V5  1  0.649  0.498  0.298  1.0
  S  S6  1  0.163  0.000  0.325  1.0
  S  S7  1  0.838  1.000  0.675  1.0
  S  S8  1  0.239  0.660  0.478  1.0
  S  S9  1  0.761  0.340  0.522  1.0
  S  S10  1  0.087  0.322  0.173  1.0
  S  S11  1  0.913  0.678  0.827  1.0
  S  S12  1  0.426  0.323  0.852  1.0
  S  S13  1  0.574  0.677  0.148  1.0
[/CIF]
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The material described by RbV5S8 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 10-coordinate geometry to two equivalent S(4), four equivalent S(1), and four equivalent S(3) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent S(3) and four equivalent S(4) atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second V site, V(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(1) atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the third V site, V(3) is bonded to one S(4), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1) and three equivalent V(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent V(2) and three equivalent V(3) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one V(1), and two equivalent V(3) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Rb(1), one V(2), one V(3), and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_RbV5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.292
_cell_length_b   8.546
_cell_length_c   9.050
_cell_angle_alpha   104.094
_cell_angle_beta   100.480
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.582
_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  0.500  0.000  0.000  1.0
  V  V1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.289  0.144  0.578  1.0
  V  V3  1  0.711  0.856  0.422  1.0
  V  V4  1  0.351  0.502  0.702  1.0
  V  V5  1  0.649  0.498  0.298  1.0
  S  S6  1  0.163  0.000  0.325  1.0
  S  S7  1  0.838  1.000  0.675  1.0
  S  S8  1  0.239  0.660  0.478  1.0
  S  S9  1  0.761  0.340  0.522  1.0
  S  S10  1  0.087  0.322  0.173  1.0
  S  S11  1  0.913  0.678  0.827  1.0
  S  S12  1  0.426  0.323  0.852  1.0
  S  S13  1  0.574  0.677  0.148  1.0
[/CIF]
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