The compound described by V3CrGaSe8 crystallizes in the trigonal R3m space group. V(1) is bonded to one Se(1), one Se(3), two equivalent Se(2), and two equivalent Se(4) atoms to form distorted VSe6 octahedra that share corners with three equivalent Ga(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with four equivalent V(1)Se6 octahedra. Cr(1) is bonded to three equivalent Se(2) and three equivalent Se(4) atoms to form CrSe6 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 one Se(3) and three equivalent Se(4) atoms to form GaSe4 tetrahedra that share corners with three equivalent Cr(1)Se6 octahedra and corners with nine equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Cr(1) atom. In the third Se site, Se(3) 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 fourth Se site, Se(4) is bonded to two equivalent V(1), one Cr(1), and one Ga(1) atom to form SeV2CrGa tetrahedra that share  a cornercorner with one Se(3)V3Ga tetrahedra, corners with two equivalent Se(4)V2CrGa tetrahedra,  an edgeedge with one Se(3)V3Ga tetrahedra, and edges with two equivalent Se(4)V2CrGa tetrahedra. is represented by the CIF file [CIF]
data_V3CrGaSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.386
_cell_length_b   7.386
_cell_length_c   7.386
_cell_angle_alpha   59.401
_cell_angle_beta   59.401
_cell_angle_gamma   59.401
_symmetry_Int_Tables_number   1
_cell_volume   281.051
_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  0.175  0.606  1.0
  V  V1  1  0.175  0.606  0.606  1.0
  V  V2  1  0.606  0.606  0.175  1.0
  Cr  Cr3  1  0.617  0.617  0.617  1.0
  Ga  Ga4  1  0.998  0.998  0.998  1.0
  Se  Se5  1  0.371  0.371  0.371  1.0
  Se  Se6  1  0.377  0.874  0.377  1.0
  Se  Se7  1  0.874  0.377  0.377  1.0
  Se  Se8  1  0.377  0.377  0.874  1.0
  Se  Se9  1  0.862  0.862  0.862  1.0
  Se  Se10  1  0.865  0.409  0.865  1.0
  Se  Se11  1  0.409  0.865  0.865  1.0
  Se  Se12  1  0.865  0.865  0.409  1.0
[/CIF]
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The compound described by V3CrGaSe8 crystallizes in the trigonal R3m space group. V(1) is bonded to one Se(1), one Se(3), two equivalent Se(2), and two equivalent Se(4) atoms to form distorted VSe6 octahedra that share corners with three equivalent Ga(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with four equivalent V(1)Se6 octahedra. Cr(1) is bonded to three equivalent Se(2) and three equivalent Se(4) atoms to form CrSe6 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 one Se(3) and three equivalent Se(4) atoms to form GaSe4 tetrahedra that share corners with three equivalent Cr(1)Se6 octahedra and corners with nine equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to three equivalent V(1) atoms. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Cr(1) atom. In the third Se site, Se(3) 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 fourth Se site, Se(4) is bonded to two equivalent V(1), one Cr(1), and one Ga(1) atom to form SeV2CrGa tetrahedra that share  a cornercorner with one Se(3)V3Ga tetrahedra, corners with two equivalent Se(4)V2CrGa tetrahedra,  an edgeedge with one Se(3)V3Ga tetrahedra, and edges with two equivalent Se(4)V2CrGa tetrahedra. is represented by the CIF file [CIF]
data_V3CrGaSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.386
_cell_length_b   7.386
_cell_length_c   7.386
_cell_angle_alpha   59.401
_cell_angle_beta   59.401
_cell_angle_gamma   59.401
_symmetry_Int_Tables_number   1
_cell_volume   281.051
_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  0.175  0.606  1.0
  V  V1  1  0.175  0.606  0.606  1.0
  V  V2  1  0.606  0.606  0.175  1.0
  Cr  Cr3  1  0.617  0.617  0.617  1.0
  Ga  Ga4  1  0.998  0.998  0.998  1.0
  Se  Se5  1  0.371  0.371  0.371  1.0
  Se  Se6  1  0.377  0.874  0.377  1.0
  Se  Se7  1  0.874  0.377  0.377  1.0
  Se  Se8  1  0.377  0.377  0.874  1.0
  Se  Se9  1  0.862  0.862  0.862  1.0
  Se  Se10  1  0.865  0.409  0.865  1.0
  Se  Se11  1  0.409  0.865  0.865  1.0
  Se  Se12  1  0.865  0.865  0.409  1.0
[/CIF]
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