The crystal structure described by CuGaGeSe4 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 Ga(1)Se4 tetrahedra and corners with four equivalent Ge(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 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 Ga(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Ga(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_GaCuGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.662
_cell_length_b   6.662
_cell_length_c   6.662
_cell_angle_alpha   131.176
_cell_angle_beta   131.176
_cell_angle_gamma   71.533
_symmetry_Int_Tables_number   1
_cell_volume   163.891
_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
  Ga  Ga0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.114  0.118  0.471  1.0
  Se  Se4  1  0.647  0.643  0.529  1.0
  Se  Se5  1  0.357  0.886  0.004  1.0
  Se  Se6  1  0.882  0.353  0.996  1.0
[/CIF]
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The crystal structure described by CuGaGeSe4 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 Ga(1)Se4 tetrahedra and corners with four equivalent Ge(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 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 Ga(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Ga(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_GaCuGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.662
_cell_length_b   6.662
_cell_length_c   6.662
_cell_angle_alpha   131.176
_cell_angle_beta   131.176
_cell_angle_gamma   71.533
_symmetry_Int_Tables_number   1
_cell_volume   163.891
_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
  Ga  Ga0  1  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.114  0.118  0.471  1.0
  Se  Se4  1  0.647  0.643  0.529  1.0
  Se  Se5  1  0.357  0.886  0.004  1.0
  Se  Se6  1  0.882  0.353  0.996  1.0
[/CIF]
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