The compound described by CuInGeSe4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one In(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_InCuGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.815
_cell_length_b   6.815
_cell_length_c   6.815
_cell_angle_alpha   128.776
_cell_angle_beta   128.776
_cell_angle_gamma   75.372
_symmetry_Int_Tables_number   1
_cell_volume   187.250
_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
  In  In0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.152  0.121  0.503  1.0
  Se  Se4  1  0.618  0.649  0.497  1.0
  Se  Se5  1  0.351  0.848  0.969  1.0
  Se  Se6  1  0.879  0.382  0.031  1.0
[/CIF]
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The compound described by CuInGeSe4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one In(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_InCuGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.815
_cell_length_b   6.815
_cell_length_c   6.815
_cell_angle_alpha   128.776
_cell_angle_beta   128.776
_cell_angle_gamma   75.372
_symmetry_Int_Tables_number   1
_cell_volume   187.250
_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
  In  In0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.152  0.121  0.503  1.0
  Se  Se4  1  0.618  0.649  0.497  1.0
  Se  Se5  1  0.351  0.848  0.969  1.0
  Se  Se6  1  0.879  0.382  0.031  1.0
[/CIF]
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