The material described by TaNb(Cu3Te4)2 is Sulvanite-derived structured and crystallizes in the tetragonal P-4m2 space group. Ta(1) is bonded in a 10-coordinate geometry to two equivalent Cu(3); four Cu(1,1,1); and four equivalent Te(1) atoms. Nb(1) is bonded in a 10-coordinate geometry to two equivalent Cu(2); four Cu(1,1,1); and four equivalent Te(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Ta(1), one Nb(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Ta(1), one Nb(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the third Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Ta(1), one Nb(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the fourth Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Te(2) atoms. In the fifth Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent Ta(1) and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ta(1); one Cu(3); and two Cu(1,1) atoms to form TeTaCu3 tetrahedra that share corners with two equivalent Te(1)TaCu3 tetrahedra, corners with four equivalent Te(2)NbCu3 tetrahedra, and edges with three equivalent Te(1)TaCu3 tetrahedra. In the second Te site, Te(2) is bonded to one Nb(1); one Cu(2); and two Cu(1,1) atoms to form TeNbCu3 tetrahedra that share corners with two equivalent Te(2)NbCu3 tetrahedra, corners with four equivalent Te(1)TaCu3 tetrahedra, and edges with three equivalent Te(2)NbCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNb(Cu3Te4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   8.525
_cell_length_c   8.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.186
_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
  Ta  Ta0  1  0.000  0.500  0.500  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.250  0.250  1.0
  Cu  Cu3  1  0.000  0.750  0.750  1.0
  Cu  Cu4  1  0.000  0.250  0.750  1.0
  Cu  Cu5  1  0.000  0.750  0.250  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Te  Te8  1  0.745  0.500  0.756  1.0
  Te  Te9  1  0.745  0.000  0.256  1.0
  Te  Te10  1  0.745  0.500  0.244  1.0
  Te  Te11  1  0.745  0.000  0.744  1.0
  Te  Te12  1  0.255  0.744  0.000  1.0
  Te  Te13  1  0.255  0.244  0.500  1.0
  Te  Te14  1  0.255  0.256  0.000  1.0
  Te  Te15  1  0.255  0.756  0.500  1.0
[/CIF]
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The material described by TaNb(Cu3Te4)2 is Sulvanite-derived structured and crystallizes in the tetragonal P-4m2 space group. Ta(1) is bonded in a 10-coordinate geometry to two equivalent Cu(3); four Cu(1,1,1); and four equivalent Te(1) atoms. Nb(1) is bonded in a 10-coordinate geometry to two equivalent Cu(2); four Cu(1,1,1); and four equivalent Te(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Ta(1), one Nb(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the second Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Ta(1), one Nb(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the third Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Ta(1), one Nb(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the fourth Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Te(2) atoms. In the fifth Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent Ta(1) and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ta(1); one Cu(3); and two Cu(1,1) atoms to form TeTaCu3 tetrahedra that share corners with two equivalent Te(1)TaCu3 tetrahedra, corners with four equivalent Te(2)NbCu3 tetrahedra, and edges with three equivalent Te(1)TaCu3 tetrahedra. In the second Te site, Te(2) is bonded to one Nb(1); one Cu(2); and two Cu(1,1) atoms to form TeNbCu3 tetrahedra that share corners with two equivalent Te(2)NbCu3 tetrahedra, corners with four equivalent Te(1)TaCu3 tetrahedra, and edges with three equivalent Te(2)NbCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNb(Cu3Te4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   8.525
_cell_length_c   8.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.186
_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
  Ta  Ta0  1  0.000  0.500  0.500  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.250  0.250  1.0
  Cu  Cu3  1  0.000  0.750  0.750  1.0
  Cu  Cu4  1  0.000  0.250  0.750  1.0
  Cu  Cu5  1  0.000  0.750  0.250  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Te  Te8  1  0.745  0.500  0.756  1.0
  Te  Te9  1  0.745  0.000  0.256  1.0
  Te  Te10  1  0.745  0.500  0.244  1.0
  Te  Te11  1  0.745  0.000  0.744  1.0
  Te  Te12  1  0.255  0.744  0.000  1.0
  Te  Te13  1  0.255  0.244  0.500  1.0
  Te  Te14  1  0.255  0.256  0.000  1.0
  Te  Te15  1  0.255  0.756  0.500  1.0
[/CIF]
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