The compound described by CuNbTe2 crystallizes in the monoclinic P2_1/m space group. Nb(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Cu(1), three equivalent Te(1), and three equivalent Te(2) atoms. Cu(1) is bonded in a 7-coordinate geometry to one Nb(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Nb(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing TeNb3Cu tetrahedra. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to three equivalent Nb(1) and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.841
_cell_length_b   6.797
_cell_length_c   7.328
_cell_angle_alpha   72.250
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.188
_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
  Nb  Nb0  1  0.750  0.175  0.006  1.0
  Nb  Nb1  1  0.250  0.825  0.994  1.0
  Cu  Cu2  1  0.750  0.392  0.591  1.0
  Cu  Cu3  1  0.250  0.608  0.409  1.0
  Te  Te4  1  0.250  0.010  0.288  1.0
  Te  Te5  1  0.250  0.495  0.794  1.0
  Te  Te6  1  0.750  0.990  0.712  1.0
  Te  Te7  1  0.750  0.505  0.206  1.0
[/CIF]
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The compound described by CuNbTe2 crystallizes in the monoclinic P2_1/m space group. Nb(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Cu(1), three equivalent Te(1), and three equivalent Te(2) atoms. Cu(1) is bonded in a 7-coordinate geometry to one Nb(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Nb(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing TeNb3Cu tetrahedra. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to three equivalent Nb(1) and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.841
_cell_length_b   6.797
_cell_length_c   7.328
_cell_angle_alpha   72.250
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.188
_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
  Nb  Nb0  1  0.750  0.175  0.006  1.0
  Nb  Nb1  1  0.250  0.825  0.994  1.0
  Cu  Cu2  1  0.750  0.392  0.591  1.0
  Cu  Cu3  1  0.250  0.608  0.409  1.0
  Te  Te4  1  0.250  0.010  0.288  1.0
  Te  Te5  1  0.250  0.495  0.794  1.0
  Te  Te6  1  0.750  0.990  0.712  1.0
  Te  Te7  1  0.750  0.505  0.206  1.0
[/CIF]
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