The structure described by Cs(Nb3Te4)2 crystallizes in the trigonal P-3 space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Te(2) and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded to six equivalent Nb(1) atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te site, Te(1) is bonded in a 5-coordinate geometry to one Cs(1) and four equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Cs(Nb3Te4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.706
_cell_length_b   11.000
_cell_length_c   10.998
_cell_angle_alpha   59.998
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.206
_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
  Cs  Cs0  1  0.500  0.000  0.000  1.0
  Nb  Nb1  1  0.748  0.388  0.512  1.0
  Nb  Nb2  1  0.748  0.101  0.388  1.0
  Nb  Nb3  1  0.748  0.511  0.101  1.0
  Nb  Nb4  1  0.252  0.612  0.488  1.0
  Nb  Nb5  1  0.252  0.899  0.612  1.0
  Nb  Nb6  1  0.252  0.489  0.899  1.0
  Te  Te7  1  0.755  0.065  0.656  1.0
  Te  Te8  1  0.755  0.279  0.065  1.0
  Te  Te9  1  0.755  0.656  0.279  1.0
  Te  Te10  1  0.245  0.935  0.344  1.0
  Te  Te11  1  0.245  0.721  0.935  1.0
  Te  Te12  1  0.245  0.344  0.721  1.0
  Te  Te13  1  0.751  0.667  0.667  1.0
  Te  Te14  1  0.249  0.333  0.333  1.0
[/CIF]
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The structure described by Cs(Nb3Te4)2 crystallizes in the trigonal P-3 space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Te(2) and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded to six equivalent Nb(1) atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te site, Te(1) is bonded in a 5-coordinate geometry to one Cs(1) and four equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_Cs(Nb3Te4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.706
_cell_length_b   11.000
_cell_length_c   10.998
_cell_angle_alpha   59.998
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.206
_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
  Cs  Cs0  1  0.500  0.000  0.000  1.0
  Nb  Nb1  1  0.748  0.388  0.512  1.0
  Nb  Nb2  1  0.748  0.101  0.388  1.0
  Nb  Nb3  1  0.748  0.511  0.101  1.0
  Nb  Nb4  1  0.252  0.612  0.488  1.0
  Nb  Nb5  1  0.252  0.899  0.612  1.0
  Nb  Nb6  1  0.252  0.489  0.899  1.0
  Te  Te7  1  0.755  0.065  0.656  1.0
  Te  Te8  1  0.755  0.279  0.065  1.0
  Te  Te9  1  0.755  0.656  0.279  1.0
  Te  Te10  1  0.245  0.935  0.344  1.0
  Te  Te11  1  0.245  0.721  0.935  1.0
  Te  Te12  1  0.245  0.344  0.721  1.0
  Te  Te13  1  0.751  0.667  0.667  1.0
  Te  Te14  1  0.249  0.333  0.333  1.0
[/CIF]
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