The structure described by YCu3HgSe4 crystallizes in the cubic P-43m space group. Y(1) is bonded to six equivalent Cu(1) and four equivalent Se(1) atoms to form distorted YCu6Se4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra, corners with six equivalent Y(1)Cu6Se4 tetrahedra, and edges with six equivalent Cu(1)Y2Se4 tetrahedra. Cu(1) is bonded to two equivalent Y(1) and four equivalent Se(1) atoms to form distorted CuY2Se4 tetrahedra that share corners with two equivalent Cu(1)Y2Se4 tetrahedra, corners with four equivalent Hg(1)Se4 tetrahedra, edges with two equivalent Y(1)Cu6Se4 tetrahedra, and edges with eight equivalent Cu(1)Y2Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Y(1)Cu6Se4 tetrahedra and corners with twelve equivalent Cu(1)Y2Se4 tetrahedra. Se(1) is bonded in a distorted pentagonal planar geometry to one Y(1), three equivalent Cu(1), and one Hg(1) atom. is represented by the CIF card [CIF]
data_YCu3HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   6.054
_cell_length_c   6.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.837
_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
  Y  Y0  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  0.249  0.249  0.249  1.0
  Se  Se6  1  0.751  0.751  0.249  1.0
  Se  Se7  1  0.249  0.751  0.751  1.0
  Se  Se8  1  0.751  0.249  0.751  1.0
[/CIF]
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The structure described by YCu3HgSe4 crystallizes in the cubic P-43m space group. Y(1) is bonded to six equivalent Cu(1) and four equivalent Se(1) atoms to form distorted YCu6Se4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra, corners with six equivalent Y(1)Cu6Se4 tetrahedra, and edges with six equivalent Cu(1)Y2Se4 tetrahedra. Cu(1) is bonded to two equivalent Y(1) and four equivalent Se(1) atoms to form distorted CuY2Se4 tetrahedra that share corners with two equivalent Cu(1)Y2Se4 tetrahedra, corners with four equivalent Hg(1)Se4 tetrahedra, edges with two equivalent Y(1)Cu6Se4 tetrahedra, and edges with eight equivalent Cu(1)Y2Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Y(1)Cu6Se4 tetrahedra and corners with twelve equivalent Cu(1)Y2Se4 tetrahedra. Se(1) is bonded in a distorted pentagonal planar geometry to one Y(1), three equivalent Cu(1), and one Hg(1) atom. is represented by the CIF card [CIF]
data_YCu3HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.054
_cell_length_b   6.054
_cell_length_c   6.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.837
_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
  Y  Y0  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  0.249  0.249  0.249  1.0
  Se  Se6  1  0.751  0.751  0.249  1.0
  Se  Se7  1  0.249  0.751  0.751  1.0
  Se  Se8  1  0.751  0.249  0.751  1.0
[/CIF]
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