The material structure described by V4GaSe8 crystallizes in the cubic F-43m space group. V(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form distorted VSe6 octahedra that share corners with three equivalent Ga(1)Se4 tetrahedra and edges with six equivalent V(1)Se6 octahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with twelve equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent V(1) and one Ga(1) atom to form a mixture of edge and corner-sharing SeV3Ga tetrahedra. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V4GaSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   7.216
_cell_length_c   7.216
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   265.659
_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  0.604  0.188  0.604  1.0
  V  V1  1  0.604  0.604  0.604  1.0
  V  V2  1  0.604  0.604  0.188  1.0
  V  V3  1  0.188  0.604  0.604  1.0
  Ga  Ga4  1  0.000  0.000  1.000  1.0
  Se  Se5  1  0.863  0.863  0.863  1.0
  Se  Se6  1  0.863  0.863  0.410  1.0
  Se  Se7  1  0.410  0.863  0.863  1.0
  Se  Se8  1  0.863  0.410  0.863  1.0
  Se  Se9  1  0.369  0.369  0.369  1.0
  Se  Se10  1  0.369  0.369  0.892  1.0
  Se  Se11  1  0.892  0.369  0.369  1.0
  Se  Se12  1  0.369  0.892  0.369  1.0
[/CIF]
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The material structure described by V4GaSe8 crystallizes in the cubic F-43m space group. V(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form distorted VSe6 octahedra that share corners with three equivalent Ga(1)Se4 tetrahedra and edges with six equivalent V(1)Se6 octahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with twelve equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent V(1) and one Ga(1) atom to form a mixture of edge and corner-sharing SeV3Ga tetrahedra. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V4GaSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   7.216
_cell_length_c   7.216
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   265.659
_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  0.604  0.188  0.604  1.0
  V  V1  1  0.604  0.604  0.604  1.0
  V  V2  1  0.604  0.604  0.188  1.0
  V  V3  1  0.188  0.604  0.604  1.0
  Ga  Ga4  1  0.000  0.000  1.000  1.0
  Se  Se5  1  0.863  0.863  0.863  1.0
  Se  Se6  1  0.863  0.863  0.410  1.0
  Se  Se7  1  0.410  0.863  0.863  1.0
  Se  Se8  1  0.863  0.410  0.863  1.0
  Se  Se9  1  0.369  0.369  0.369  1.0
  Se  Se10  1  0.369  0.369  0.892  1.0
  Se  Se11  1  0.892  0.369  0.369  1.0
  Se  Se12  1  0.369  0.892  0.369  1.0
[/CIF]
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