The structure described by Cu3HgGaSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form 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 Ga(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a distorted pentagonal planar geometry to three equivalent Cu(1), one Hg(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCu3HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.935
_cell_length_c   5.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.092
_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
  Ga  Ga0  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  0.239  0.239  0.239  1.0
  Se  Se6  1  0.761  0.761  0.239  1.0
  Se  Se7  1  0.239  0.761  0.761  1.0
  Se  Se8  1  0.761  0.239  0.761  1.0
[/CIF]
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The structure described by Cu3HgGaSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form 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 Ga(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a distorted pentagonal planar geometry to three equivalent Cu(1), one Hg(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCu3HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.935
_cell_length_c   5.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.092
_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
  Ga  Ga0  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  0.239  0.239  0.239  1.0
  Se  Se6  1  0.761  0.761  0.239  1.0
  Se  Se7  1  0.239  0.761  0.761  1.0
  Se  Se8  1  0.761  0.239  0.761  1.0
[/CIF]
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