The material described by CuInGeS4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra and corners with four equivalent Ge(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with four equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to four equivalent S(1) atoms to form GeS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with four equivalent In(1)S4 tetrahedra. S(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 Crystallographic Information File (CIF) [CIF]
data_InCuGeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.452
_cell_length_b   6.452
_cell_length_c   6.452
_cell_angle_alpha   128.404
_cell_angle_beta   128.404
_cell_angle_gamma   75.971
_symmetry_Int_Tables_number   1
_cell_volume   160.368
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  S  S3  1  0.377  0.361  0.469  1.0
  S  S4  1  0.892  0.907  0.531  1.0
  S  S5  1  0.639  0.108  0.015  1.0
  S  S6  1  0.093  0.623  0.985  1.0
[/CIF]
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The material described by CuInGeS4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra and corners with four equivalent Ge(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with four equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to four equivalent S(1) atoms to form GeS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with four equivalent In(1)S4 tetrahedra. S(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 Crystallographic Information File (CIF) [CIF]
data_InCuGeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.452
_cell_length_b   6.452
_cell_length_c   6.452
_cell_angle_alpha   128.404
_cell_angle_beta   128.404
_cell_angle_gamma   75.971
_symmetry_Int_Tables_number   1
_cell_volume   160.368
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  S  S3  1  0.377  0.361  0.469  1.0
  S  S4  1  0.892  0.907  0.531  1.0
  S  S5  1  0.639  0.108  0.015  1.0
  S  S6  1  0.093  0.623  0.985  1.0
[/CIF]
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