The crystal structure described by Cu2ZnGe(SeS)2 is Stannite-derived structured and crystallizes in the orthorhombic Fmm2 space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CuSe2S2 tetrahedra that share corners with four equivalent Cu(1)Se2S2 tetrahedra, corners with four equivalent Zn(1)Se2S2 tetrahedra, and corners with four equivalent Ge(1)Se2S2 tetrahedra. Zn(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent Ge(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Ge(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form GeSe2S2 tetrahedra that share corners with four equivalent Zn(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Se(1) is bonded to two equivalent Cu(1), one Zn(1), and one Ge(1) atom to form SeZnCu2Ge tetrahedra that share corners with four equivalent Se(1)ZnCu2Ge tetrahedra and corners with eight equivalent S(1)ZnCu2Ge tetrahedra. S(1) is bonded to two equivalent Cu(1), one Zn(1), and one Ge(1) atom to form SZnCu2Ge tetrahedra that share corners with four equivalent S(1)ZnCu2Ge tetrahedra and corners with eight equivalent Se(1)ZnCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_ZnCu2Ge(SeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   5.488
_cell_length_c   6.693
_cell_angle_alpha   65.904
_cell_angle_beta   65.904
_cell_angle_gamma   90.246
_symmetry_Int_Tables_number   1
_cell_volume   164.414
_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  0.993  0.993  0.013  1.0
  Cu  Cu1  1  0.259  0.759  0.482  1.0
  Cu  Cu2  1  0.759  0.259  0.482  1.0
  Ge  Ge3  1  0.493  0.493  0.015  1.0
  Se  Se4  1  0.383  0.873  0.744  1.0
  Se  Se5  1  0.873  0.383  0.744  1.0
  S  S6  1  0.612  0.612  0.260  1.0
  S  S7  1  0.128  0.128  0.260  1.0
[/CIF]
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The crystal structure described by Cu2ZnGe(SeS)2 is Stannite-derived structured and crystallizes in the orthorhombic Fmm2 space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CuSe2S2 tetrahedra that share corners with four equivalent Cu(1)Se2S2 tetrahedra, corners with four equivalent Zn(1)Se2S2 tetrahedra, and corners with four equivalent Ge(1)Se2S2 tetrahedra. Zn(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form ZnSe2S2 tetrahedra that share corners with four equivalent Ge(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Ge(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form GeSe2S2 tetrahedra that share corners with four equivalent Zn(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Se(1) is bonded to two equivalent Cu(1), one Zn(1), and one Ge(1) atom to form SeZnCu2Ge tetrahedra that share corners with four equivalent Se(1)ZnCu2Ge tetrahedra and corners with eight equivalent S(1)ZnCu2Ge tetrahedra. S(1) is bonded to two equivalent Cu(1), one Zn(1), and one Ge(1) atom to form SZnCu2Ge tetrahedra that share corners with four equivalent S(1)ZnCu2Ge tetrahedra and corners with eight equivalent Se(1)ZnCu2Ge tetrahedra. is represented by the CIF file [CIF]
data_ZnCu2Ge(SeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.488
_cell_length_b   5.488
_cell_length_c   6.693
_cell_angle_alpha   65.904
_cell_angle_beta   65.904
_cell_angle_gamma   90.246
_symmetry_Int_Tables_number   1
_cell_volume   164.414
_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  0.993  0.993  0.013  1.0
  Cu  Cu1  1  0.259  0.759  0.482  1.0
  Cu  Cu2  1  0.759  0.259  0.482  1.0
  Ge  Ge3  1  0.493  0.493  0.015  1.0
  Se  Se4  1  0.383  0.873  0.744  1.0
  Se  Se5  1  0.873  0.383  0.744  1.0
  S  S6  1  0.612  0.612  0.260  1.0
  S  S7  1  0.128  0.128  0.260  1.0
[/CIF]
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