The crystal structure described by Na3SbTe3 crystallizes in the cubic P2_13 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to six equivalent Te(1) atoms to form a mixture of distorted corner, face, and edge-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. In the third Na site, Na(3) is bonded to six equivalent Te(1) atoms to form a mixture of distorted corner, face, and edge-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Sb(1) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. Te(1) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Sb(1) atom to form a mixture of distorted corner, face, and edge-sharing TeNa6Sb pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.678
_cell_length_b   9.678
_cell_length_c   9.678
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   906.582
_cell_formula_units_Z   4
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  0.590  0.910  0.090  1.0
  Na  Na1  1  0.183  0.183  0.183  1.0
  Na  Na2  1  0.317  0.817  0.683  1.0
  Na  Na3  1  0.683  0.317  0.817  1.0
  Na  Na4  1  0.910  0.090  0.590  1.0
  Na  Na5  1  0.090  0.590  0.910  1.0
  Na  Na6  1  0.410  0.410  0.410  1.0
  Na  Na7  1  0.327  0.173  0.827  1.0
  Na  Na8  1  0.173  0.827  0.327  1.0
  Na  Na9  1  0.827  0.327  0.173  1.0
  Na  Na10  1  0.673  0.673  0.673  1.0
  Na  Na11  1  0.817  0.683  0.317  1.0
  Sb  Sb12  1  0.039  0.461  0.539  1.0
  Sb  Sb13  1  0.461  0.539  0.039  1.0
  Sb  Sb14  1  0.961  0.961  0.961  1.0
  Sb  Sb15  1  0.539  0.039  0.461  1.0
  Te  Te16  1  0.260  0.119  0.503  1.0
  Te  Te17  1  0.740  0.619  0.997  1.0
  Te  Te18  1  0.381  0.497  0.760  1.0
  Te  Te19  1  0.997  0.740  0.619  1.0
  Te  Te20  1  0.497  0.760  0.381  1.0
  Te  Te21  1  0.119  0.503  0.260  1.0
  Te  Te22  1  0.503  0.260  0.119  1.0
  Te  Te23  1  0.619  0.997  0.740  1.0
  Te  Te24  1  0.881  0.003  0.240  1.0
  Te  Te25  1  0.003  0.240  0.881  1.0
  Te  Te26  1  0.240  0.881  0.003  1.0
  Te  Te27  1  0.760  0.381  0.497  1.0
[/CIF]
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The crystal structure described by Na3SbTe3 crystallizes in the cubic P2_13 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to six equivalent Te(1) atoms to form a mixture of distorted corner, face, and edge-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. In the third Na site, Na(3) is bonded to six equivalent Te(1) atoms to form a mixture of distorted corner, face, and edge-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Sb(1) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. Te(1) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Sb(1) atom to form a mixture of distorted corner, face, and edge-sharing TeNa6Sb pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.678
_cell_length_b   9.678
_cell_length_c   9.678
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   906.582
_cell_formula_units_Z   4
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  0.590  0.910  0.090  1.0
  Na  Na1  1  0.183  0.183  0.183  1.0
  Na  Na2  1  0.317  0.817  0.683  1.0
  Na  Na3  1  0.683  0.317  0.817  1.0
  Na  Na4  1  0.910  0.090  0.590  1.0
  Na  Na5  1  0.090  0.590  0.910  1.0
  Na  Na6  1  0.410  0.410  0.410  1.0
  Na  Na7  1  0.327  0.173  0.827  1.0
  Na  Na8  1  0.173  0.827  0.327  1.0
  Na  Na9  1  0.827  0.327  0.173  1.0
  Na  Na10  1  0.673  0.673  0.673  1.0
  Na  Na11  1  0.817  0.683  0.317  1.0
  Sb  Sb12  1  0.039  0.461  0.539  1.0
  Sb  Sb13  1  0.461  0.539  0.039  1.0
  Sb  Sb14  1  0.961  0.961  0.961  1.0
  Sb  Sb15  1  0.539  0.039  0.461  1.0
  Te  Te16  1  0.260  0.119  0.503  1.0
  Te  Te17  1  0.740  0.619  0.997  1.0
  Te  Te18  1  0.381  0.497  0.760  1.0
  Te  Te19  1  0.997  0.740  0.619  1.0
  Te  Te20  1  0.497  0.760  0.381  1.0
  Te  Te21  1  0.119  0.503  0.260  1.0
  Te  Te22  1  0.503  0.260  0.119  1.0
  Te  Te23  1  0.619  0.997  0.740  1.0
  Te  Te24  1  0.881  0.003  0.240  1.0
  Te  Te25  1  0.003  0.240  0.881  1.0
  Te  Te26  1  0.240  0.881  0.003  1.0
  Te  Te27  1  0.760  0.381  0.497  1.0
[/CIF]
.