The compound described by V2CrSe4 crystallizes in the monoclinic C2/m 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 six equivalent Cr(1)Se6 octahedra, edges with six equivalent V(1)Se6 octahedra, and  a faceface with one Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. Cr(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CrSe6 octahedra that share corners with twelve equivalent V(1)Se6 octahedra, edges with two equivalent Cr(1)Se6 octahedra, and faces with two equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent V(1) and two equivalent Cr(1) atoms. In the second Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent V(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CrSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.838
_cell_length_b   6.838
_cell_length_c   6.260
_cell_angle_alpha   64.886
_cell_angle_beta   64.886
_cell_angle_gamma   28.964
_symmetry_Int_Tables_number   1
_cell_volume   127.406
_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  0.746  0.746  0.314  1.0
  V  V1  1  0.254  0.254  0.686  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.892  0.892  0.451  1.0
  Se  Se4  1  0.108  0.108  0.549  1.0
  Se  Se5  1  0.641  0.641  0.021  1.0
  Se  Se6  1  0.359  0.359  0.979  1.0
[/CIF]
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The compound described by V2CrSe4 crystallizes in the monoclinic C2/m 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 six equivalent Cr(1)Se6 octahedra, edges with six equivalent V(1)Se6 octahedra, and  a faceface with one Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. Cr(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CrSe6 octahedra that share corners with twelve equivalent V(1)Se6 octahedra, edges with two equivalent Cr(1)Se6 octahedra, and faces with two equivalent V(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent V(1) and two equivalent Cr(1) atoms. In the second Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent V(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CrSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.838
_cell_length_b   6.838
_cell_length_c   6.260
_cell_angle_alpha   64.886
_cell_angle_beta   64.886
_cell_angle_gamma   28.964
_symmetry_Int_Tables_number   1
_cell_volume   127.406
_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  0.746  0.746  0.314  1.0
  V  V1  1  0.254  0.254  0.686  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.892  0.892  0.451  1.0
  Se  Se4  1  0.108  0.108  0.549  1.0
  Se  Se5  1  0.641  0.641  0.021  1.0
  Se  Se6  1  0.359  0.359  0.979  1.0
[/CIF]
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