The structure described by Nb(Mo3S4)2 crystallizes in the trigonal R-3 space group. Nb(1) is bonded in a body-centered cubic geometry to two equivalent S(1) and six equivalent S(2) atoms. Mo(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 trigonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Nb(1) and three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one Nb(1) and four equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Nb(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   6.385
_cell_angle_alpha   90.035
_cell_angle_beta   90.035
_cell_angle_gamma   90.035
_symmetry_Int_Tables_number   1
_cell_volume   260.247
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.784  0.579  0.444  1.0
  Mo  Mo2  1  0.444  0.784  0.579  1.0
  Mo  Mo3  1  0.579  0.444  0.784  1.0
  Mo  Mo4  1  0.216  0.421  0.556  1.0
  Mo  Mo5  1  0.556  0.216  0.421  1.0
  Mo  Mo6  1  0.421  0.556  0.216  1.0
  S  S7  1  0.770  0.770  0.770  1.0
  S  S8  1  0.230  0.230  0.230  1.0
  S  S9  1  0.239  0.645  0.869  1.0
  S  S10  1  0.869  0.239  0.645  1.0
  S  S11  1  0.645  0.869  0.239  1.0
  S  S12  1  0.761  0.355  0.131  1.0
  S  S13  1  0.131  0.761  0.355  1.0
  S  S14  1  0.355  0.131  0.761  1.0
[/CIF]
.
The structure described by Nb(Mo3S4)2 crystallizes in the trigonal R-3 space group. Nb(1) is bonded in a body-centered cubic geometry to two equivalent S(1) and six equivalent S(2) atoms. Mo(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing MoS5 trigonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Nb(1) and three equivalent Mo(1) atoms. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to one Nb(1) and four equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_Nb(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.385
_cell_length_c   6.385
_cell_angle_alpha   90.035
_cell_angle_beta   90.035
_cell_angle_gamma   90.035
_symmetry_Int_Tables_number   1
_cell_volume   260.247
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.784  0.579  0.444  1.0
  Mo  Mo2  1  0.444  0.784  0.579  1.0
  Mo  Mo3  1  0.579  0.444  0.784  1.0
  Mo  Mo4  1  0.216  0.421  0.556  1.0
  Mo  Mo5  1  0.556  0.216  0.421  1.0
  Mo  Mo6  1  0.421  0.556  0.216  1.0
  S  S7  1  0.770  0.770  0.770  1.0
  S  S8  1  0.230  0.230  0.230  1.0
  S  S9  1  0.239  0.645  0.869  1.0
  S  S10  1  0.869  0.239  0.645  1.0
  S  S11  1  0.645  0.869  0.239  1.0
  S  S12  1  0.761  0.355  0.131  1.0
  S  S13  1  0.131  0.761  0.355  1.0
  S  S14  1  0.355  0.131  0.761  1.0
[/CIF]
.