The compound described by Cu2ZnGeSe4 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 Cu(1)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Ge(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Cu(1), one Zn(1), and one Ge(1) atom to form corner-sharing SeZnCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_ZnCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.917
_cell_length_b   6.917
_cell_length_c   6.917
_cell_angle_alpha   131.766
_cell_angle_beta   131.766
_cell_angle_gamma   70.600
_symmetry_Int_Tables_number   1
_cell_volume   180.397
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.384  0.876  0.000  1.0
  Se  Se5  1  0.124  0.124  0.509  1.0
  Se  Se6  1  0.616  0.616  0.491  1.0
  Se  Se7  1  0.876  0.384  0.000  1.0
[/CIF]
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The compound described by Cu2ZnGeSe4 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 Cu(1)Se4 tetrahedra, corners with four equivalent Zn(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Ge(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Cu(1), one Zn(1), and one Ge(1) atom to form corner-sharing SeZnCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_ZnCu2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.917
_cell_length_b   6.917
_cell_length_c   6.917
_cell_angle_alpha   131.766
_cell_angle_beta   131.766
_cell_angle_gamma   70.600
_symmetry_Int_Tables_number   1
_cell_volume   180.397
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.384  0.876  0.000  1.0
  Se  Se5  1  0.124  0.124  0.509  1.0
  Se  Se6  1  0.616  0.616  0.491  1.0
  Se  Se7  1  0.876  0.384  0.000  1.0
[/CIF]
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