The structure described by Nb3Sb2Te5 crystallizes in the cubic I-43m space group. Nb(1) is bonded in a 8-coordinate geometry to two equivalent Sb(1), two equivalent Te(1), and four equivalent Te(2) atoms. Sb(1) is bonded in a 7-coordinate geometry to three equivalent Nb(1) and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to four equivalent Nb(1) atoms. In the second Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Nb(1) and four equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_Nb3Sb2Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.580
_cell_length_b   8.580
_cell_length_c   8.580
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   486.258
_cell_formula_units_Z   2
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  0.000  0.343  0.343  1.0
  Nb  Nb1  1  0.343  0.000  0.343  1.0
  Nb  Nb2  1  0.657  0.000  0.657  1.0
  Nb  Nb3  1  0.657  0.657  0.000  1.0
  Nb  Nb4  1  0.343  0.343  0.000  1.0
  Nb  Nb5  1  0.000  0.657  0.657  1.0
  Sb  Sb6  1  0.333  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.333  0.000  1.0
  Sb  Sb8  1  0.667  0.667  0.667  1.0
  Sb  Sb9  1  0.000  0.000  0.333  1.0
  Te  Te10  1  0.325  0.325  0.325  1.0
  Te  Te11  1  0.250  0.750  0.500  1.0
  Te  Te12  1  0.000  0.675  0.000  1.0
  Te  Te13  1  0.500  0.750  0.250  1.0
  Te  Te14  1  0.750  0.250  0.500  1.0
  Te  Te15  1  0.500  0.250  0.750  1.0
  Te  Te16  1  0.675  0.000  0.000  1.0
  Te  Te17  1  0.000  0.000  0.675  1.0
  Te  Te18  1  0.250  0.500  0.750  1.0
  Te  Te19  1  0.750  0.500  0.250  1.0
[/CIF]
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The structure described by Nb3Sb2Te5 crystallizes in the cubic I-43m space group. Nb(1) is bonded in a 8-coordinate geometry to two equivalent Sb(1), two equivalent Te(1), and four equivalent Te(2) atoms. Sb(1) is bonded in a 7-coordinate geometry to three equivalent Nb(1) and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 4-coordinate geometry to four equivalent Nb(1) atoms. In the second Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Nb(1) and four equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_Nb3Sb2Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.580
_cell_length_b   8.580
_cell_length_c   8.580
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   486.258
_cell_formula_units_Z   2
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  0.000  0.343  0.343  1.0
  Nb  Nb1  1  0.343  0.000  0.343  1.0
  Nb  Nb2  1  0.657  0.000  0.657  1.0
  Nb  Nb3  1  0.657  0.657  0.000  1.0
  Nb  Nb4  1  0.343  0.343  0.000  1.0
  Nb  Nb5  1  0.000  0.657  0.657  1.0
  Sb  Sb6  1  0.333  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.333  0.000  1.0
  Sb  Sb8  1  0.667  0.667  0.667  1.0
  Sb  Sb9  1  0.000  0.000  0.333  1.0
  Te  Te10  1  0.325  0.325  0.325  1.0
  Te  Te11  1  0.250  0.750  0.500  1.0
  Te  Te12  1  0.000  0.675  0.000  1.0
  Te  Te13  1  0.500  0.750  0.250  1.0
  Te  Te14  1  0.750  0.250  0.500  1.0
  Te  Te15  1  0.500  0.250  0.750  1.0
  Te  Te16  1  0.675  0.000  0.000  1.0
  Te  Te17  1  0.000  0.000  0.675  1.0
  Te  Te18  1  0.250  0.500  0.750  1.0
  Te  Te19  1  0.750  0.500  0.250  1.0
[/CIF]
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