The compound described by CuCd2InSe4 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Cu(1) is bonded to one Se(1), one Se(4), and two equivalent Se(3) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, and corners with four equivalent Cd(2)Se4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, and corners with four equivalent Cd(1)Se4 tetrahedra. In(1) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form InSe4 tetrahedra that share corners with two equivalent In(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent Cu(1)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cd(2), and two equivalent Cd(1) atoms to form SeCd3Cu tetrahedra that share corners with two equivalent Se(1)Cd3Cu tetrahedra, corners with three equivalent Se(4)CdIn2Cu tetrahedra, corners with three equivalent Se(3)CdInCu2 tetrahedra, and corners with four equivalent Se(2)Cd3In tetrahedra. In the second Se site, Se(2) is bonded to one Cd(1), two equivalent Cd(2), and one In(1) atom to form SeCd3In tetrahedra that share corners with two equivalent Se(2)Cd3In tetrahedra, corners with three equivalent Se(4)CdIn2Cu tetrahedra, corners with three equivalent Se(3)CdInCu2 tetrahedra, and corners with four equivalent Se(1)Cd3Cu tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Cu(1), one Cd(2), and one In(1) atom to form SeCdInCu2 tetrahedra that share corners with two equivalent Se(3)CdInCu2 tetrahedra, corners with three equivalent Se(1)Cd3Cu tetrahedra, corners with three equivalent Se(2)Cd3In tetrahedra, and corners with four equivalent Se(4)CdIn2Cu tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(1), one Cd(1), and two equivalent In(1) atoms to form SeCdIn2Cu tetrahedra that share corners with two equivalent Se(4)CdIn2Cu tetrahedra, corners with three equivalent Se(1)Cd3Cu tetrahedra, corners with three equivalent Se(2)Cd3In tetrahedra, and corners with four equivalent Se(3)CdInCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2InCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.195
_cell_length_b   8.195
_cell_length_c   7.404
_cell_angle_alpha   63.224
_cell_angle_beta   63.224
_cell_angle_gamma   30.189
_symmetry_Int_Tables_number   1
_cell_volume   221.150
_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  0.501  0.501  0.176  1.0
  Cd  Cd1  1  0.995  0.995  0.659  1.0
  In  In2  1  0.753  0.753  0.591  1.0
  Cu  Cu3  1  0.250  0.250  0.074  1.0
  Se  Se4  1  0.074  0.074  0.258  1.0
  Se  Se5  1  0.563  0.563  0.770  1.0
  Se  Se6  1  0.805  0.805  0.883  1.0
  Se  Se7  1  0.306  0.306  0.338  1.0
[/CIF]
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The compound described by CuCd2InSe4 is Stannite-like structured and crystallizes in the monoclinic Cm space group. Cu(1) is bonded to one Se(1), one Se(4), and two equivalent Se(3) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, and corners with four equivalent Cd(2)Se4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, and corners with four equivalent Cd(1)Se4 tetrahedra. In(1) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form InSe4 tetrahedra that share corners with two equivalent In(1)Se4 tetrahedra, corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Cd(2)Se4 tetrahedra, and corners with four equivalent Cu(1)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cd(2), and two equivalent Cd(1) atoms to form SeCd3Cu tetrahedra that share corners with two equivalent Se(1)Cd3Cu tetrahedra, corners with three equivalent Se(4)CdIn2Cu tetrahedra, corners with three equivalent Se(3)CdInCu2 tetrahedra, and corners with four equivalent Se(2)Cd3In tetrahedra. In the second Se site, Se(2) is bonded to one Cd(1), two equivalent Cd(2), and one In(1) atom to form SeCd3In tetrahedra that share corners with two equivalent Se(2)Cd3In tetrahedra, corners with three equivalent Se(4)CdIn2Cu tetrahedra, corners with three equivalent Se(3)CdInCu2 tetrahedra, and corners with four equivalent Se(1)Cd3Cu tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Cu(1), one Cd(2), and one In(1) atom to form SeCdInCu2 tetrahedra that share corners with two equivalent Se(3)CdInCu2 tetrahedra, corners with three equivalent Se(1)Cd3Cu tetrahedra, corners with three equivalent Se(2)Cd3In tetrahedra, and corners with four equivalent Se(4)CdIn2Cu tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(1), one Cd(1), and two equivalent In(1) atoms to form SeCdIn2Cu tetrahedra that share corners with two equivalent Se(4)CdIn2Cu tetrahedra, corners with three equivalent Se(1)Cd3Cu tetrahedra, corners with three equivalent Se(2)Cd3In tetrahedra, and corners with four equivalent Se(3)CdInCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2InCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.195
_cell_length_b   8.195
_cell_length_c   7.404
_cell_angle_alpha   63.224
_cell_angle_beta   63.224
_cell_angle_gamma   30.189
_symmetry_Int_Tables_number   1
_cell_volume   221.150
_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  0.501  0.501  0.176  1.0
  Cd  Cd1  1  0.995  0.995  0.659  1.0
  In  In2  1  0.753  0.753  0.591  1.0
  Cu  Cu3  1  0.250  0.250  0.074  1.0
  Se  Se4  1  0.074  0.074  0.258  1.0
  Se  Se5  1  0.563  0.563  0.770  1.0
  Se  Se6  1  0.805  0.805  0.883  1.0
  Se  Se7  1  0.306  0.306  0.338  1.0
[/CIF]
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