The crystal structure described by Nb6BiTe8 crystallizes in the trigonal P-3 space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Te(2) and four equivalent Te(1) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent Bi(1) and six 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 4-coordinate geometry to four equivalent Nb(1) and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb6BiTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.815
_cell_length_b   10.815
_cell_length_c   3.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   367.437
_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
  Nb  Nb0  1  0.615  0.513  0.250  1.0
  Nb  Nb1  1  0.898  0.385  0.250  1.0
  Nb  Nb2  1  0.487  0.102  0.250  1.0
  Nb  Nb3  1  0.385  0.487  0.750  1.0
  Nb  Nb4  1  0.102  0.615  0.750  1.0
  Nb  Nb5  1  0.513  0.898  0.750  1.0
  Bi  Bi6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.934  0.665  0.253  1.0
  Te  Te8  1  0.731  0.066  0.253  1.0
  Te  Te9  1  0.335  0.269  0.253  1.0
  Te  Te10  1  0.066  0.335  0.747  1.0
  Te  Te11  1  0.269  0.934  0.747  1.0
  Te  Te12  1  0.665  0.731  0.747  1.0
  Te  Te13  1  0.333  0.667  0.251  1.0
  Te  Te14  1  0.667  0.333  0.749  1.0
[/CIF]
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The crystal structure described by Nb6BiTe8 crystallizes in the trigonal P-3 space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Te(2) and four equivalent Te(1) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent Bi(1) and six 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 4-coordinate geometry to four equivalent Nb(1) and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb6BiTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.815
_cell_length_b   10.815
_cell_length_c   3.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   367.437
_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
  Nb  Nb0  1  0.615  0.513  0.250  1.0
  Nb  Nb1  1  0.898  0.385  0.250  1.0
  Nb  Nb2  1  0.487  0.102  0.250  1.0
  Nb  Nb3  1  0.385  0.487  0.750  1.0
  Nb  Nb4  1  0.102  0.615  0.750  1.0
  Nb  Nb5  1  0.513  0.898  0.750  1.0
  Bi  Bi6  1  0.000  0.000  0.500  1.0
  Te  Te7  1  0.934  0.665  0.253  1.0
  Te  Te8  1  0.731  0.066  0.253  1.0
  Te  Te9  1  0.335  0.269  0.253  1.0
  Te  Te10  1  0.066  0.335  0.747  1.0
  Te  Te11  1  0.269  0.934  0.747  1.0
  Te  Te12  1  0.665  0.731  0.747  1.0
  Te  Te13  1  0.333  0.667  0.251  1.0
  Te  Te14  1  0.667  0.333  0.749  1.0
[/CIF]
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