The crystal structure described by NiCu3PbSe4 is Matlockite-derived structured and crystallizes in the cubic P-43m space group. Ni(1) is bonded to four equivalent Se(1) atoms to form NiSe4 tetrahedra that share corners with four equivalent Pb(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Pb(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Ni(1)Se4 tetrahedra. Pb(1) is bonded to four equivalent Se(1) atoms to form PbSe4 tetrahedra that share corners with four equivalent Ni(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to one Ni(1), three equivalent Cu(1), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Cu3NiPbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   5.913
_cell_length_c   5.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.737
_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
  Cu  Cu0  1  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Pb  Pb4  1  0.500  0.500  0.500  1.0
  Se  Se5  1  0.228  0.228  0.228  1.0
  Se  Se6  1  0.772  0.772  0.228  1.0
  Se  Se7  1  0.228  0.772  0.772  1.0
  Se  Se8  1  0.772  0.228  0.772  1.0
[/CIF]
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The crystal structure described by NiCu3PbSe4 is Matlockite-derived structured and crystallizes in the cubic P-43m space group. Ni(1) is bonded to four equivalent Se(1) atoms to form NiSe4 tetrahedra that share corners with four equivalent Pb(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Pb(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Ni(1)Se4 tetrahedra. Pb(1) is bonded to four equivalent Se(1) atoms to form PbSe4 tetrahedra that share corners with four equivalent Ni(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a 5-coordinate geometry to one Ni(1), three equivalent Cu(1), and one Pb(1) atom. is represented by the CIF file [CIF]
data_Cu3NiPbSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   5.913
_cell_length_c   5.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.737
_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
  Cu  Cu0  1  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Pb  Pb4  1  0.500  0.500  0.500  1.0
  Se  Se5  1  0.228  0.228  0.228  1.0
  Se  Se6  1  0.772  0.772  0.228  1.0
  Se  Se7  1  0.228  0.772  0.772  1.0
  Se  Se8  1  0.772  0.228  0.772  1.0
[/CIF]
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