The structure described by Cu2GeS3 is Enargite-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with five equivalent Cu(2)S4 tetrahedra, and corners with five equivalent Ge(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(2)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form GeS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Cu(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), two equivalent Cu(2), and one Ge(1) atom to form SCu3Ge tetrahedra that share corners with two equivalent S(1)Cu3Ge tetrahedra, corners with five equivalent S(3)Cu2Ge2 tetrahedra, and corners with five equivalent S(2)Cu3Ge tetrahedra. In the second S site, S(2) is bonded to one Cu(2), two equivalent Cu(1), and one Ge(1) atom to form SCu3Ge tetrahedra that share corners with two equivalent S(2)Cu3Ge tetrahedra, corners with five equivalent S(3)Cu2Ge2 tetrahedra, and corners with five equivalent S(1)Cu3Ge tetrahedra. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), and two equivalent Ge(1) atoms to form SCu2Ge2 tetrahedra that share corners with two equivalent S(3)Cu2Ge2 tetrahedra, corners with five equivalent S(1)Cu3Ge tetrahedra, and corners with five equivalent S(2)Cu3Ge tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.440
_cell_length_b   6.418
_cell_length_c   6.455
_cell_angle_alpha   60.193
_cell_angle_beta   80.652
_cell_angle_gamma   70.927
_symmetry_Int_Tables_number   1
_cell_volume   218.794
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.140  0.031  0.170  1.0
  Cu  Cu1  1  0.140  0.373  0.496  1.0
  Cu  Cu2  1  0.640  0.201  0.830  1.0
  Cu  Cu3  1  0.640  0.869  0.504  1.0
  Ge  Ge4  1  0.121  0.724  0.825  1.0
  Ge  Ge5  1  0.621  0.549  0.175  1.0
  S  S6  1  0.513  0.250  0.494  1.0
  S  S7  1  0.013  0.745  0.506  1.0
  S  S8  1  0.515  0.916  0.169  1.0
  S  S9  1  0.015  0.085  0.831  1.0
  S  S10  1  0.006  0.413  0.165  1.0
  S  S11  1  0.506  0.578  0.835  1.0
[/CIF]
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The structure described by Cu2GeS3 is Enargite-like structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra, corners with five equivalent Cu(2)S4 tetrahedra, and corners with five equivalent Ge(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(2)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form GeS4 tetrahedra that share corners with two equivalent Ge(1)S4 tetrahedra, corners with five equivalent Cu(1)S4 tetrahedra, and corners with five equivalent Cu(2)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cu(1), two equivalent Cu(2), and one Ge(1) atom to form SCu3Ge tetrahedra that share corners with two equivalent S(1)Cu3Ge tetrahedra, corners with five equivalent S(3)Cu2Ge2 tetrahedra, and corners with five equivalent S(2)Cu3Ge tetrahedra. In the second S site, S(2) is bonded to one Cu(2), two equivalent Cu(1), and one Ge(1) atom to form SCu3Ge tetrahedra that share corners with two equivalent S(2)Cu3Ge tetrahedra, corners with five equivalent S(3)Cu2Ge2 tetrahedra, and corners with five equivalent S(1)Cu3Ge tetrahedra. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), and two equivalent Ge(1) atoms to form SCu2Ge2 tetrahedra that share corners with two equivalent S(3)Cu2Ge2 tetrahedra, corners with five equivalent S(1)Cu3Ge tetrahedra, and corners with five equivalent S(2)Cu3Ge tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.440
_cell_length_b   6.418
_cell_length_c   6.455
_cell_angle_alpha   60.193
_cell_angle_beta   80.652
_cell_angle_gamma   70.927
_symmetry_Int_Tables_number   1
_cell_volume   218.794
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.140  0.031  0.170  1.0
  Cu  Cu1  1  0.140  0.373  0.496  1.0
  Cu  Cu2  1  0.640  0.201  0.830  1.0
  Cu  Cu3  1  0.640  0.869  0.504  1.0
  Ge  Ge4  1  0.121  0.724  0.825  1.0
  Ge  Ge5  1  0.621  0.549  0.175  1.0
  S  S6  1  0.513  0.250  0.494  1.0
  S  S7  1  0.013  0.745  0.506  1.0
  S  S8  1  0.515  0.916  0.169  1.0
  S  S9  1  0.015  0.085  0.831  1.0
  S  S10  1  0.006  0.413  0.165  1.0
  S  S11  1  0.506  0.578  0.835  1.0
[/CIF]
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