The crystal structure described by CsNb(CuTe2)2 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 9-coordinate geometry to one Te(3), two equivalent Te(1), two equivalent Te(2), and four equivalent Te(4) atoms. Nb(1) is bonded to two equivalent Cu(1), two equivalent Cu(2), one Te(1), one Te(2), one Te(3), and one Te(4) atom to form distorted corner-sharing NbCu4Te4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1), one Te(1), one Te(2), and two equivalent Te(3) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1), one Te(1), one Te(2), one Te(3), and one Te(4) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Nb(1), one Cu(1), and one Cu(2) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Nb(1), one Cu(1), and one Cu(2) atom. In the third Te site, Te(3) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Nb(1), one Cu(2), and two equivalent Cu(1) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Nb(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_CsNb(CuTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   8.345
_cell_length_c   21.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1063.309
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.015  0.704  0.438  1.0
  Cs  Cs1  1  0.515  0.296  0.562  1.0
  Cs  Cs2  1  0.515  0.796  0.938  1.0
  Cs  Cs3  1  0.015  0.204  0.062  1.0
  Nb  Nb4  1  0.259  0.704  0.147  1.0
  Nb  Nb5  1  0.759  0.296  0.853  1.0
  Nb  Nb6  1  0.759  0.796  0.647  1.0
  Nb  Nb7  1  0.259  0.204  0.353  1.0
  Cu  Cu8  1  0.267  0.961  0.247  1.0
  Cu  Cu9  1  0.767  0.039  0.753  1.0
  Cu  Cu10  1  0.767  0.539  0.747  1.0
  Cu  Cu11  1  0.267  0.461  0.253  1.0
  Cu  Cu12  1  0.259  0.796  0.647  1.0
  Cu  Cu13  1  0.759  0.204  0.353  1.0
  Cu  Cu14  1  0.759  0.704  0.147  1.0
  Cu  Cu15  1  0.259  0.296  0.853  1.0
  Te  Te16  1  0.512  0.963  0.144  1.0
  Te  Te17  1  0.012  0.037  0.856  1.0
  Te  Te18  1  0.012  0.537  0.644  1.0
  Te  Te19  1  0.512  0.463  0.356  1.0
  Te  Te20  1  0.513  0.946  0.349  1.0
  Te  Te21  1  0.013  0.054  0.651  1.0
  Te  Te22  1  0.013  0.554  0.849  1.0
  Te  Te23  1  0.513  0.446  0.151  1.0
  Te  Te24  1  0.002  0.711  0.250  1.0
  Te  Te25  1  0.502  0.289  0.750  1.0
  Te  Te26  1  0.502  0.789  0.750  1.0
  Te  Te27  1  0.002  0.211  0.250  1.0
  Te  Te28  1  0.007  0.691  0.045  1.0
  Te  Te29  1  0.507  0.309  0.955  1.0
  Te  Te30  1  0.507  0.809  0.545  1.0
  Te  Te31  1  0.007  0.191  0.455  1.0
[/CIF]
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The crystal structure described by CsNb(CuTe2)2 crystallizes in the orthorhombic Pna2_1 space group. Cs(1) is bonded in a 9-coordinate geometry to one Te(3), two equivalent Te(1), two equivalent Te(2), and four equivalent Te(4) atoms. Nb(1) is bonded to two equivalent Cu(1), two equivalent Cu(2), one Te(1), one Te(2), one Te(3), and one Te(4) atom to form distorted corner-sharing NbCu4Te4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1), one Te(1), one Te(2), and two equivalent Te(3) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1), one Te(1), one Te(2), one Te(3), and one Te(4) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Nb(1), one Cu(1), and one Cu(2) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Nb(1), one Cu(1), and one Cu(2) atom. In the third Te site, Te(3) is bonded in a distorted pentagonal planar geometry to one Cs(1), one Nb(1), one Cu(2), and two equivalent Cu(1) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Nb(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_CsNb(CuTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   8.345
_cell_length_c   21.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1063.309
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.015  0.704  0.438  1.0
  Cs  Cs1  1  0.515  0.296  0.562  1.0
  Cs  Cs2  1  0.515  0.796  0.938  1.0
  Cs  Cs3  1  0.015  0.204  0.062  1.0
  Nb  Nb4  1  0.259  0.704  0.147  1.0
  Nb  Nb5  1  0.759  0.296  0.853  1.0
  Nb  Nb6  1  0.759  0.796  0.647  1.0
  Nb  Nb7  1  0.259  0.204  0.353  1.0
  Cu  Cu8  1  0.267  0.961  0.247  1.0
  Cu  Cu9  1  0.767  0.039  0.753  1.0
  Cu  Cu10  1  0.767  0.539  0.747  1.0
  Cu  Cu11  1  0.267  0.461  0.253  1.0
  Cu  Cu12  1  0.259  0.796  0.647  1.0
  Cu  Cu13  1  0.759  0.204  0.353  1.0
  Cu  Cu14  1  0.759  0.704  0.147  1.0
  Cu  Cu15  1  0.259  0.296  0.853  1.0
  Te  Te16  1  0.512  0.963  0.144  1.0
  Te  Te17  1  0.012  0.037  0.856  1.0
  Te  Te18  1  0.012  0.537  0.644  1.0
  Te  Te19  1  0.512  0.463  0.356  1.0
  Te  Te20  1  0.513  0.946  0.349  1.0
  Te  Te21  1  0.013  0.054  0.651  1.0
  Te  Te22  1  0.013  0.554  0.849  1.0
  Te  Te23  1  0.513  0.446  0.151  1.0
  Te  Te24  1  0.002  0.711  0.250  1.0
  Te  Te25  1  0.502  0.289  0.750  1.0
  Te  Te26  1  0.502  0.789  0.750  1.0
  Te  Te27  1  0.002  0.211  0.250  1.0
  Te  Te28  1  0.007  0.691  0.045  1.0
  Te  Te29  1  0.507  0.309  0.955  1.0
  Te  Te30  1  0.507  0.809  0.545  1.0
  Te  Te31  1  0.007  0.191  0.455  1.0
[/CIF]
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