The material described by Cu3ZnAlSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Al(1)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Al(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Al(1) is bonded to four equivalent Se(1) atoms to form distorted AlSe4 tetrahedra that share corners with four equivalent Zn(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 Zn(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlZnCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.716
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Se  Se5  1  0.248  0.248  0.248  1.0
  Se  Se6  1  0.752  0.752  0.248  1.0
  Se  Se7  1  0.248  0.752  0.752  1.0
  Se  Se8  1  0.752  0.248  0.752  1.0
[/CIF]
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The material described by Cu3ZnAlSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Al(1)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Al(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Al(1) is bonded to four equivalent Se(1) atoms to form distorted AlSe4 tetrahedra that share corners with four equivalent Zn(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 Zn(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlZnCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.716
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Se  Se5  1  0.248  0.248  0.248  1.0
  Se  Se6  1  0.752  0.752  0.248  1.0
  Se  Se7  1  0.248  0.752  0.752  1.0
  Se  Se8  1  0.752  0.248  0.752  1.0
[/CIF]
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