The material described by VMo3GaS8 crystallizes in the trigonal R3m space group. V(1) is bonded in a 6-coordinate geometry to three equivalent S(2) and three equivalent S(4) atoms. Mo(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. Ga(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SGaMo3 tetrahedra. In the second S site, S(2) is bonded to one V(1), two equivalent Mo(1), and one Ga(1) atom to form SVGaMo2 tetrahedra that share  a cornercorner with one S(1)GaMo3 tetrahedra, corners with two equivalent S(2)VGaMo2 tetrahedra,  an edgeedge with one S(1)GaMo3 tetrahedra, and edges with two equivalent S(2)VGaMo2 tetrahedra. In the third S site, S(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_VGaMo3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.978
_cell_length_b   6.978
_cell_length_c   6.978
_cell_angle_alpha   59.032
_cell_angle_beta   59.032
_cell_angle_gamma   59.032
_symmetry_Int_Tables_number   1
_cell_volume   234.916
_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
  V  V0  1  0.606  0.606  0.606  1.0
  Ga  Ga1  1  0.999  0.999  0.999  1.0
  Mo  Mo2  1  0.599  0.195  0.599  1.0
  Mo  Mo3  1  0.195  0.599  0.599  1.0
  Mo  Mo4  1  0.599  0.599  0.195  1.0
  S  S5  1  0.864  0.864  0.864  1.0
  S  S6  1  0.862  0.408  0.862  1.0
  S  S7  1  0.408  0.862  0.862  1.0
  S  S8  1  0.862  0.862  0.408  1.0
  S  S9  1  0.365  0.365  0.365  1.0
  S  S10  1  0.374  0.894  0.374  1.0
  S  S11  1  0.894  0.374  0.374  1.0
  S  S12  1  0.374  0.374  0.894  1.0
[/CIF]
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The material described by VMo3GaS8 crystallizes in the trigonal R3m space group. V(1) is bonded in a 6-coordinate geometry to three equivalent S(2) and three equivalent S(4) atoms. Mo(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. Ga(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SGaMo3 tetrahedra. In the second S site, S(2) is bonded to one V(1), two equivalent Mo(1), and one Ga(1) atom to form SVGaMo2 tetrahedra that share  a cornercorner with one S(1)GaMo3 tetrahedra, corners with two equivalent S(2)VGaMo2 tetrahedra,  an edgeedge with one S(1)GaMo3 tetrahedra, and edges with two equivalent S(2)VGaMo2 tetrahedra. In the third S site, S(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_VGaMo3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.978
_cell_length_b   6.978
_cell_length_c   6.978
_cell_angle_alpha   59.032
_cell_angle_beta   59.032
_cell_angle_gamma   59.032
_symmetry_Int_Tables_number   1
_cell_volume   234.916
_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
  V  V0  1  0.606  0.606  0.606  1.0
  Ga  Ga1  1  0.999  0.999  0.999  1.0
  Mo  Mo2  1  0.599  0.195  0.599  1.0
  Mo  Mo3  1  0.195  0.599  0.599  1.0
  Mo  Mo4  1  0.599  0.599  0.195  1.0
  S  S5  1  0.864  0.864  0.864  1.0
  S  S6  1  0.862  0.408  0.862  1.0
  S  S7  1  0.408  0.862  0.862  1.0
  S  S8  1  0.862  0.862  0.408  1.0
  S  S9  1  0.365  0.365  0.365  1.0
  S  S10  1  0.374  0.894  0.374  1.0
  S  S11  1  0.894  0.374  0.374  1.0
  S  S12  1  0.374  0.374  0.894  1.0
[/CIF]
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