The crystal structure described by Na(Nb3Te4)2 crystallizes in the trigonal P-3 space group. Na(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 TeNb6 pentagonal pyramids that share corners with six equivalent Te(1)NaNb4 trigonal bipyramids, edges with nine equivalent Te(1)NaNb4 trigonal bipyramids, and faces with two equivalent Te(2)Nb6 pentagonal pyramids. In the second Te site, Te(1) is bonded to one Na(1) and four equivalent Nb(1) atoms to form distorted TeNaNb4 trigonal bipyramids that share corners with two equivalent Te(2)Nb6 pentagonal pyramids, corners with nine equivalent Te(1)NaNb4 trigonal bipyramids, edges with three equivalent Te(2)Nb6 pentagonal pyramids, and edges with four equivalent Te(1)NaNb4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(Nb3Te4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.747
_cell_length_b   10.747
_cell_length_c   3.706
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   370.709
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Nb  Nb1  1  0.511  0.899  0.251  1.0
  Nb  Nb2  1  0.388  0.489  0.251  1.0
  Nb  Nb3  1  0.101  0.612  0.251  1.0
  Nb  Nb4  1  0.489  0.101  0.749  1.0
  Nb  Nb5  1  0.612  0.511  0.749  1.0
  Nb  Nb6  1  0.899  0.388  0.749  1.0
  Te  Te7  1  0.667  0.729  0.248  1.0
  Te  Te8  1  0.061  0.333  0.248  1.0
  Te  Te9  1  0.271  0.939  0.248  1.0
  Te  Te10  1  0.333  0.271  0.752  1.0
  Te  Te11  1  0.939  0.667  0.752  1.0
  Te  Te12  1  0.729  0.061  0.752  1.0
  Te  Te13  1  0.667  0.333  0.250  1.0
  Te  Te14  1  0.333  0.667  0.750  1.0
[/CIF]
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The crystal structure described by Na(Nb3Te4)2 crystallizes in the trigonal P-3 space group. Na(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 TeNb6 pentagonal pyramids that share corners with six equivalent Te(1)NaNb4 trigonal bipyramids, edges with nine equivalent Te(1)NaNb4 trigonal bipyramids, and faces with two equivalent Te(2)Nb6 pentagonal pyramids. In the second Te site, Te(1) is bonded to one Na(1) and four equivalent Nb(1) atoms to form distorted TeNaNb4 trigonal bipyramids that share corners with two equivalent Te(2)Nb6 pentagonal pyramids, corners with nine equivalent Te(1)NaNb4 trigonal bipyramids, edges with three equivalent Te(2)Nb6 pentagonal pyramids, and edges with four equivalent Te(1)NaNb4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(Nb3Te4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.747
_cell_length_b   10.747
_cell_length_c   3.706
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   370.709
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Nb  Nb1  1  0.511  0.899  0.251  1.0
  Nb  Nb2  1  0.388  0.489  0.251  1.0
  Nb  Nb3  1  0.101  0.612  0.251  1.0
  Nb  Nb4  1  0.489  0.101  0.749  1.0
  Nb  Nb5  1  0.612  0.511  0.749  1.0
  Nb  Nb6  1  0.899  0.388  0.749  1.0
  Te  Te7  1  0.667  0.729  0.248  1.0
  Te  Te8  1  0.061  0.333  0.248  1.0
  Te  Te9  1  0.271  0.939  0.248  1.0
  Te  Te10  1  0.333  0.271  0.752  1.0
  Te  Te11  1  0.939  0.667  0.752  1.0
  Te  Te12  1  0.729  0.061  0.752  1.0
  Te  Te13  1  0.667  0.333  0.250  1.0
  Te  Te14  1  0.333  0.667  0.750  1.0
[/CIF]
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