The crystal structure described by Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form CuSe4 tetrahedra that share corners with four equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Cd(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form CdSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form GeSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Cd(1)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_CdCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.667
_cell_length_b   7.045
_cell_length_c   8.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.383
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.052
_cell_formula_units_Z   2
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  0.981  0.169  0.754  1.0
  Cd  Cd1  1  0.481  0.831  0.254  1.0
  Cu  Cu2  1  0.984  0.166  0.247  1.0
  Cu  Cu3  1  0.484  0.834  0.747  1.0
  Cu  Cu4  1  0.976  0.654  0.501  1.0
  Cu  Cu5  1  0.476  0.346  0.001  1.0
  Ge  Ge6  1  0.479  0.334  0.500  1.0
  Ge  Ge7  1  0.979  0.666  0.000  1.0
  Se  Se8  1  0.345  0.188  0.248  1.0
  Se  Se9  1  0.385  0.162  0.751  1.0
  Se  Se10  1  0.885  0.838  0.251  1.0
  Se  Se11  1  0.845  0.812  0.748  1.0
  Se  Se12  1  0.844  0.335  0.480  1.0
  Se  Se13  1  0.344  0.665  0.980  1.0
  Se  Se14  1  0.342  0.652  0.519  1.0
  Se  Se15  1  0.842  0.348  0.019  1.0
[/CIF]
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The crystal structure described by Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form CuSe4 tetrahedra that share corners with four equivalent Cu(2)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cd(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Cd(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form CdSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form GeSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Cd(1)Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(1), one Cu(2), one Cd(1), and one Ge(1) atom to form corner-sharing SeCdCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_CdCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.667
_cell_length_b   7.045
_cell_length_c   8.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.383
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.052
_cell_formula_units_Z   2
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  0.981  0.169  0.754  1.0
  Cd  Cd1  1  0.481  0.831  0.254  1.0
  Cu  Cu2  1  0.984  0.166  0.247  1.0
  Cu  Cu3  1  0.484  0.834  0.747  1.0
  Cu  Cu4  1  0.976  0.654  0.501  1.0
  Cu  Cu5  1  0.476  0.346  0.001  1.0
  Ge  Ge6  1  0.479  0.334  0.500  1.0
  Ge  Ge7  1  0.979  0.666  0.000  1.0
  Se  Se8  1  0.345  0.188  0.248  1.0
  Se  Se9  1  0.385  0.162  0.751  1.0
  Se  Se10  1  0.885  0.838  0.251  1.0
  Se  Se11  1  0.845  0.812  0.748  1.0
  Se  Se12  1  0.844  0.335  0.480  1.0
  Se  Se13  1  0.344  0.665  0.980  1.0
  Se  Se14  1  0.342  0.652  0.519  1.0
  Se  Se15  1  0.842  0.348  0.019  1.0
[/CIF]
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