The structure described by Nb6PbTe8 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. Pb(1) is bonded in a 6-coordinate geometry to 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 5-coordinate geometry to four equivalent Nb(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Nb6Te8Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.778
_cell_length_c   3.674
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   369.617
_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  0.511  0.613  0.749  1.0
  Nb  Nb1  1  0.387  0.898  0.749  1.0
  Nb  Nb2  1  0.102  0.489  0.749  1.0
  Nb  Nb3  1  0.489  0.387  0.251  1.0
  Nb  Nb4  1  0.613  0.102  0.251  1.0
  Nb  Nb5  1  0.898  0.511  0.251  1.0
  Te  Te6  1  0.667  0.938  0.752  1.0
  Te  Te7  1  0.062  0.729  0.752  1.0
  Te  Te8  1  0.271  0.333  0.752  1.0
  Te  Te9  1  0.333  0.062  0.248  1.0
  Te  Te10  1  0.938  0.271  0.248  1.0
  Te  Te11  1  0.729  0.667  0.248  1.0
  Te  Te12  1  0.667  0.333  0.750  1.0
  Te  Te13  1  0.333  0.667  0.250  1.0
  Pb  Pb14  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by Nb6PbTe8 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. Pb(1) is bonded in a 6-coordinate geometry to 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 5-coordinate geometry to four equivalent Nb(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Nb6Te8Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.778
_cell_length_c   3.674
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   369.617
_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  0.511  0.613  0.749  1.0
  Nb  Nb1  1  0.387  0.898  0.749  1.0
  Nb  Nb2  1  0.102  0.489  0.749  1.0
  Nb  Nb3  1  0.489  0.387  0.251  1.0
  Nb  Nb4  1  0.613  0.102  0.251  1.0
  Nb  Nb5  1  0.898  0.511  0.251  1.0
  Te  Te6  1  0.667  0.938  0.752  1.0
  Te  Te7  1  0.062  0.729  0.752  1.0
  Te  Te8  1  0.271  0.333  0.752  1.0
  Te  Te9  1  0.333  0.062  0.248  1.0
  Te  Te10  1  0.938  0.271  0.248  1.0
  Te  Te11  1  0.729  0.667  0.248  1.0
  Te  Te12  1  0.667  0.333  0.750  1.0
  Te  Te13  1  0.333  0.667  0.250  1.0
  Pb  Pb14  1  0.000  0.000  0.500  1.0
[/CIF]
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