The crystal structure described by KCu2GeS4 crystallizes in the tetragonal I-42m space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 trigonal pyramids that share corners with four equivalent Ge(1)S4 tetrahedra and corners with four equivalent Cu(1)S4 trigonal pyramids. Ge(1) is bonded to four equivalent S(1) atoms to form GeS4 tetrahedra that share corners with eight equivalent Cu(1)S4 trigonal pyramids. S(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Cu(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_KCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.179
_cell_length_b   6.179
_cell_length_c   6.179
_cell_angle_alpha   119.167
_cell_angle_beta   119.167
_cell_angle_gamma   91.449
_symmetry_Int_Tables_number   1
_cell_volume   168.883
_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
  K  K0  1  0.500  0.500  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  0.000  0.000  0.000  1.0
  S  S4  1  0.360  0.958  0.000  1.0
  S  S5  1  0.958  0.360  0.000  1.0
  S  S6  1  0.640  0.640  0.599  1.0
  S  S7  1  0.042  0.042  0.401  1.0
[/CIF]
.
The crystal structure described by KCu2GeS4 crystallizes in the tetragonal I-42m space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 trigonal pyramids that share corners with four equivalent Ge(1)S4 tetrahedra and corners with four equivalent Cu(1)S4 trigonal pyramids. Ge(1) is bonded to four equivalent S(1) atoms to form GeS4 tetrahedra that share corners with eight equivalent Cu(1)S4 trigonal pyramids. S(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Cu(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_KCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.179
_cell_length_b   6.179
_cell_length_c   6.179
_cell_angle_alpha   119.167
_cell_angle_beta   119.167
_cell_angle_gamma   91.449
_symmetry_Int_Tables_number   1
_cell_volume   168.883
_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
  K  K0  1  0.500  0.500  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  0.000  0.000  0.000  1.0
  S  S4  1  0.360  0.958  0.000  1.0
  S  S5  1  0.958  0.360  0.000  1.0
  S  S6  1  0.640  0.640  0.599  1.0
  S  S7  1  0.042  0.042  0.401  1.0
[/CIF]
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