The material described by CsVCu3Se4 crystallizes in the cubic P-43m space group. Cs(1) is bonded to four equivalent Se(1) atoms to form CsSe4 tetrahedra that share corners with four equivalent V(1)Se4 tetrahedra. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share corners with four equivalent Cs(1)Se4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. Se(1) is bonded to one Cs(1), one V(1), and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SeCsVCu3 trigonal bipyramids. is represented by the CIF file [CIF]
data_CsVCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.273
_cell_length_c   6.272
_cell_angle_alpha   90.056
_cell_angle_beta   89.966
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   246.795
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  V  V1  1  1.000  0.000  1.000  1.0
  Cu  Cu2  1  1.000  0.500  1.000  1.0
  Cu  Cu3  1  1.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  1.000  1.0
  Se  Se5  1  0.213  0.213  0.213  1.0
  Se  Se6  1  0.787  0.787  0.213  1.0
  Se  Se7  1  0.213  0.787  0.787  1.0
  Se  Se8  1  0.787  0.213  0.787  1.0
[/CIF]
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The material described by CsVCu3Se4 crystallizes in the cubic P-43m space group. Cs(1) is bonded to four equivalent Se(1) atoms to form CsSe4 tetrahedra that share corners with four equivalent V(1)Se4 tetrahedra. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share corners with four equivalent Cs(1)Se4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. Se(1) is bonded to one Cs(1), one V(1), and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SeCsVCu3 trigonal bipyramids. is represented by the CIF file [CIF]
data_CsVCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.273
_cell_length_c   6.272
_cell_angle_alpha   90.056
_cell_angle_beta   89.966
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   246.795
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  V  V1  1  1.000  0.000  1.000  1.0
  Cu  Cu2  1  1.000  0.500  1.000  1.0
  Cu  Cu3  1  1.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  1.000  1.0
  Se  Se5  1  0.213  0.213  0.213  1.0
  Se  Se6  1  0.787  0.787  0.213  1.0
  Se  Se7  1  0.213  0.787  0.787  1.0
  Se  Se8  1  0.787  0.213  0.787  1.0
[/CIF]
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