The compound described by CuCd2GaSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with eight equivalent Cd(1)Se4 tetrahedra. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with eight equivalent Cd(1)Se4 tetrahedra. Se(1) is bonded to one Cu(1), two equivalent Cd(1), and one Ga(1) atom to form corner-sharing SeCd2GaCu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2GaCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   7.263
_cell_length_c   7.263
_cell_angle_alpha   131.868
_cell_angle_beta   131.868
_cell_angle_gamma   70.438
_symmetry_Int_Tables_number   1
_cell_volume   208.182
_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
  Cd  Cd0  1  0.750  0.250  0.500  1.0
  Cd  Cd1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.639  0.639  0.499  1.0
  Se  Se5  1  0.361  0.860  0.000  1.0
  Se  Se6  1  0.140  0.140  0.501  1.0
  Se  Se7  1  0.860  0.361  0.000  1.0
[/CIF]
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The compound described by CuCd2GaSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with eight equivalent Cd(1)Se4 tetrahedra. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with eight equivalent Cd(1)Se4 tetrahedra. Se(1) is bonded to one Cu(1), two equivalent Cd(1), and one Ga(1) atom to form corner-sharing SeCd2GaCu tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2GaCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   7.263
_cell_length_c   7.263
_cell_angle_alpha   131.868
_cell_angle_beta   131.868
_cell_angle_gamma   70.438
_symmetry_Int_Tables_number   1
_cell_volume   208.182
_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
  Cd  Cd0  1  0.750  0.250  0.500  1.0
  Cd  Cd1  1  0.250  0.750  0.500  1.0
  Ga  Ga2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.639  0.639  0.499  1.0
  Se  Se5  1  0.361  0.860  0.000  1.0
  Se  Se6  1  0.140  0.140  0.501  1.0
  Se  Se7  1  0.860  0.361  0.000  1.0
[/CIF]
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