The compound described by Ge1Cu2Te3 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 Te(2), one Te(3), and two equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with five equivalent Cu(2)Te4 tetrahedra, and corners with five equivalent Ge(1)Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Te(1), one Te(3), and two equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(2)Te4 tetrahedra, corners with five equivalent Cu(1)Te4 tetrahedra, and corners with five equivalent Ge(1)Te4 tetrahedra. Ge(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form GeTe4 tetrahedra that share corners with two equivalent Ge(1)Te4 tetrahedra, corners with five equivalent Cu(1)Te4 tetrahedra, and corners with five equivalent Cu(2)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(2), two equivalent Cu(1), and one Ge(1) atom to form TeCu3Ge tetrahedra that share corners with two equivalent Te(1)Cu3Ge tetrahedra, corners with five equivalent Te(3)Cu2Ge2 tetrahedra, and corners with five equivalent Te(2)Cu3Ge tetrahedra. In the second Te site, Te(2) is bonded to one Cu(1), two equivalent Cu(2), and one Ge(1) atom to form TeCu3Ge tetrahedra that share corners with two equivalent Te(2)Cu3Ge tetrahedra, corners with five equivalent Te(3)Cu2Ge2 tetrahedra, and corners with five equivalent Te(1)Cu3Ge tetrahedra. In the third Te site, Te(3) is bonded to one Cu(1), one Cu(2), and two equivalent Ge(1) atoms to form TeCu2Ge2 tetrahedra that share corners with two equivalent Te(3)Cu2Ge2 tetrahedra, corners with five equivalent Te(1)Cu3Ge tetrahedra, and corners with five equivalent Te(2)Cu3Ge tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2GeTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.318
_cell_length_b   7.318
_cell_length_c   7.347
_cell_angle_alpha   80.462
_cell_angle_beta   80.462
_cell_angle_gamma   120.052
_symmetry_Int_Tables_number   1
_cell_volume   321.318
_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  0.989  0.158  0.005  1.0
  Cu  Cu1  1  0.335  0.835  0.004  1.0
  Cu  Cu2  1  0.158  0.989  0.505  1.0
  Cu  Cu3  1  0.835  0.335  0.504  1.0
  Ge  Ge4  1  0.678  0.505  0.990  1.0
  Ge  Ge5  1  0.505  0.678  0.490  1.0
  Te  Te6  1  0.055  0.887  0.875  1.0
  Te  Te7  1  0.708  0.201  0.871  1.0
  Te  Te8  1  0.358  0.536  0.882  1.0
  Te  Te9  1  0.536  0.358  0.382  1.0
  Te  Te10  1  0.201  0.708  0.371  1.0
  Te  Te11  1  0.887  0.055  0.375  1.0
[/CIF]
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The compound described by Ge1Cu2Te3 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 Te(2), one Te(3), and two equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with five equivalent Cu(2)Te4 tetrahedra, and corners with five equivalent Ge(1)Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Te(1), one Te(3), and two equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with two equivalent Cu(2)Te4 tetrahedra, corners with five equivalent Cu(1)Te4 tetrahedra, and corners with five equivalent Ge(1)Te4 tetrahedra. Ge(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form GeTe4 tetrahedra that share corners with two equivalent Ge(1)Te4 tetrahedra, corners with five equivalent Cu(1)Te4 tetrahedra, and corners with five equivalent Cu(2)Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(2), two equivalent Cu(1), and one Ge(1) atom to form TeCu3Ge tetrahedra that share corners with two equivalent Te(1)Cu3Ge tetrahedra, corners with five equivalent Te(3)Cu2Ge2 tetrahedra, and corners with five equivalent Te(2)Cu3Ge tetrahedra. In the second Te site, Te(2) is bonded to one Cu(1), two equivalent Cu(2), and one Ge(1) atom to form TeCu3Ge tetrahedra that share corners with two equivalent Te(2)Cu3Ge tetrahedra, corners with five equivalent Te(3)Cu2Ge2 tetrahedra, and corners with five equivalent Te(1)Cu3Ge tetrahedra. In the third Te site, Te(3) is bonded to one Cu(1), one Cu(2), and two equivalent Ge(1) atoms to form TeCu2Ge2 tetrahedra that share corners with two equivalent Te(3)Cu2Ge2 tetrahedra, corners with five equivalent Te(1)Cu3Ge tetrahedra, and corners with five equivalent Te(2)Cu3Ge tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2GeTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.318
_cell_length_b   7.318
_cell_length_c   7.347
_cell_angle_alpha   80.462
_cell_angle_beta   80.462
_cell_angle_gamma   120.052
_symmetry_Int_Tables_number   1
_cell_volume   321.318
_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  0.989  0.158  0.005  1.0
  Cu  Cu1  1  0.335  0.835  0.004  1.0
  Cu  Cu2  1  0.158  0.989  0.505  1.0
  Cu  Cu3  1  0.835  0.335  0.504  1.0
  Ge  Ge4  1  0.678  0.505  0.990  1.0
  Ge  Ge5  1  0.505  0.678  0.490  1.0
  Te  Te6  1  0.055  0.887  0.875  1.0
  Te  Te7  1  0.708  0.201  0.871  1.0
  Te  Te8  1  0.358  0.536  0.882  1.0
  Te  Te9  1  0.536  0.358  0.382  1.0
  Te  Te10  1  0.201  0.708  0.371  1.0
  Te  Te11  1  0.887  0.055  0.375  1.0
[/CIF]
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