The structure described by SrCu2GeS4 crystallizes in the tetragonal I-42m space group. Sr(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 Sr(1), two equivalent Cu(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_SrCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   6.091
_cell_length_c   6.091
_cell_angle_alpha   117.490
_cell_angle_beta   117.490
_cell_angle_gamma   94.405
_symmetry_Int_Tables_number   1
_cell_volume   165.288
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.538  0.138  0.000  1.0
  S  S5  1  0.138  0.538  0.000  1.0
  S  S6  1  0.862  0.862  0.400  1.0
  S  S7  1  0.462  0.462  0.600  1.0
[/CIF]
.
The structure described by SrCu2GeS4 crystallizes in the tetragonal I-42m space group. Sr(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 Sr(1), two equivalent Cu(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_SrCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   6.091
_cell_length_c   6.091
_cell_angle_alpha   117.490
_cell_angle_beta   117.490
_cell_angle_gamma   94.405
_symmetry_Int_Tables_number   1
_cell_volume   165.288
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.538  0.138  0.000  1.0
  S  S5  1  0.138  0.538  0.000  1.0
  S  S6  1  0.862  0.862  0.400  1.0
  S  S7  1  0.462  0.462  0.600  1.0
[/CIF]
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