The structure described by VCu3HgSe4 crystallizes in the cubic P-43m space group. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent V(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent V(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one V(1), three equivalent Cu(1), and one Hg(1) atom to form a mixture of distorted corner and edge-sharing SeVCu3Hg trigonal bipyramids. is represented by the CIF card [CIF]
data_VCu3HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.943
_cell_length_c   5.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.927
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Hg  Hg4  1  0.500  0.500  0.500  1.0
  Se  Se5  1  0.227  0.227  0.227  1.0
  Se  Se6  1  0.773  0.773  0.227  1.0
  Se  Se7  1  0.227  0.773  0.773  1.0
  Se  Se8  1  0.773  0.227  0.773  1.0
[/CIF]
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The structure described by VCu3HgSe4 crystallizes in the cubic P-43m space group. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent V(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent V(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one V(1), three equivalent Cu(1), and one Hg(1) atom to form a mixture of distorted corner and edge-sharing SeVCu3Hg trigonal bipyramids. is represented by the CIF card [CIF]
data_VCu3HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.943
_cell_length_c   5.943
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.927
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Hg  Hg4  1  0.500  0.500  0.500  1.0
  Se  Se5  1  0.227  0.227  0.227  1.0
  Se  Se6  1  0.773  0.773  0.227  1.0
  Se  Se7  1  0.227  0.773  0.773  1.0
  Se  Se8  1  0.773  0.227  0.773  1.0
[/CIF]
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