The compound described by Cu2HfTe3 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent Cu(2), one Te(3), two equivalent Te(2), and three equivalent Te(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to one Hf(1), two equivalent Cu(1), one Te(3), and three equivalent Te(1) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to two equivalent Hf(1), one Cu(2), two equivalent Te(2), and two equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted hexagonal planar geometry to three equivalent Hf(1) and three equivalent Cu(1) atoms. In the second Te site, Te(2) is bonded to two equivalent Hf(1) and two equivalent Cu(2) atoms to form distorted TeHf2Cu2 tetrahedra that share corners with two equivalent Te(2)Hf2Cu2 tetrahedra, corners with two equivalent Te(3)HfCu3 tetrahedra,  an edgeedge with one Te(2)Hf2Cu2 tetrahedra, and edges with two equivalent Te(3)HfCu3 tetrahedra. In the third Te site, Te(3) is bonded to one Hf(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted TeHfCu3 tetrahedra that share corners with two equivalent Te(2)Hf2Cu2 tetrahedra, corners with two equivalent Te(3)HfCu3 tetrahedra, and edges with two equivalent Te(2)Hf2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_HfCu2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.077
_cell_length_b   7.303
_cell_length_c   10.391
_cell_angle_alpha   98.635
_cell_angle_beta   101.313
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.803
_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
  Hf  Hf0  1  0.646  0.053  0.293  1.0
  Hf  Hf1  1  0.354  0.947  0.707  1.0
  Cu  Cu2  1  0.714  0.423  0.428  1.0
  Cu  Cu3  1  0.286  0.577  0.572  1.0
  Cu  Cu4  1  0.049  0.149  0.098  1.0
  Cu  Cu5  1  0.951  0.851  0.902  1.0
  Te  Te6  1  0.750  0.782  0.501  1.0
  Te  Te7  1  0.919  0.178  0.838  1.0
  Te  Te8  1  0.584  0.361  0.169  1.0
  Te  Te9  1  0.250  0.218  0.499  1.0
  Te  Te10  1  0.416  0.639  0.831  1.0
  Te  Te11  1  0.081  0.822  0.162  1.0
[/CIF]
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The compound described by Cu2HfTe3 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent Cu(2), one Te(3), two equivalent Te(2), and three equivalent Te(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to one Hf(1), two equivalent Cu(1), one Te(3), and three equivalent Te(1) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to two equivalent Hf(1), one Cu(2), two equivalent Te(2), and two equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted hexagonal planar geometry to three equivalent Hf(1) and three equivalent Cu(1) atoms. In the second Te site, Te(2) is bonded to two equivalent Hf(1) and two equivalent Cu(2) atoms to form distorted TeHf2Cu2 tetrahedra that share corners with two equivalent Te(2)Hf2Cu2 tetrahedra, corners with two equivalent Te(3)HfCu3 tetrahedra,  an edgeedge with one Te(2)Hf2Cu2 tetrahedra, and edges with two equivalent Te(3)HfCu3 tetrahedra. In the third Te site, Te(3) is bonded to one Hf(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted TeHfCu3 tetrahedra that share corners with two equivalent Te(2)Hf2Cu2 tetrahedra, corners with two equivalent Te(3)HfCu3 tetrahedra, and edges with two equivalent Te(2)Hf2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_HfCu2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.077
_cell_length_b   7.303
_cell_length_c   10.391
_cell_angle_alpha   98.635
_cell_angle_beta   101.313
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.803
_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
  Hf  Hf0  1  0.646  0.053  0.293  1.0
  Hf  Hf1  1  0.354  0.947  0.707  1.0
  Cu  Cu2  1  0.714  0.423  0.428  1.0
  Cu  Cu3  1  0.286  0.577  0.572  1.0
  Cu  Cu4  1  0.049  0.149  0.098  1.0
  Cu  Cu5  1  0.951  0.851  0.902  1.0
  Te  Te6  1  0.750  0.782  0.501  1.0
  Te  Te7  1  0.919  0.178  0.838  1.0
  Te  Te8  1  0.584  0.361  0.169  1.0
  Te  Te9  1  0.250  0.218  0.499  1.0
  Te  Te10  1  0.416  0.639  0.831  1.0
  Te  Te11  1  0.081  0.822  0.162  1.0
[/CIF]
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