The material described by NaTe3 crystallizes in the trigonal P-3c1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Na site, Na(2) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Na site, Na(3) is bonded to three equivalent Te(1) and three equivalent Te(3) atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are three inequivalent Te sites. In the first Te site, Te(3) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), and one Te(1) atom. In the second Te site, Te(1) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(3), one Te(1), and one Te(3) atom. In the third Te site, Te(2) is bonded in a distorted linear geometry to one Na(1) and one Na(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.090
_cell_length_b   9.090
_cell_length_c   22.124
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1583.040
_cell_formula_units_Z   12
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  0.124  1.0
  Na  Na1  1  0.000  0.000  0.376  1.0
  Na  Na2  1  0.000  0.000  0.876  1.0
  Na  Na3  1  0.000  0.000  0.624  1.0
  Na  Na4  1  0.333  0.667  0.959  1.0
  Na  Na5  1  0.667  0.333  0.541  1.0
  Na  Na6  1  0.667  0.333  0.041  1.0
  Na  Na7  1  0.333  0.667  0.459  1.0
  Na  Na8  1  0.333  0.667  0.208  1.0
  Na  Na9  1  0.667  0.333  0.292  1.0
  Na  Na10  1  0.667  0.333  0.792  1.0
  Na  Na11  1  0.333  0.667  0.708  1.0
  Te  Te12  1  0.794  0.663  0.207  1.0
  Te  Te13  1  0.337  0.131  0.207  1.0
  Te  Te14  1  0.869  0.206  0.207  1.0
  Te  Te15  1  0.131  0.337  0.293  1.0
  Te  Te16  1  0.206  0.869  0.293  1.0
  Te  Te17  1  0.663  0.794  0.293  1.0
  Te  Te18  1  0.206  0.337  0.793  1.0
  Te  Te19  1  0.663  0.869  0.793  1.0
  Te  Te20  1  0.131  0.794  0.793  1.0
  Te  Te21  1  0.869  0.663  0.707  1.0
  Te  Te22  1  0.794  0.131  0.707  1.0
  Te  Te23  1  0.337  0.206  0.707  1.0
  Te  Te24  1  0.671  0.841  0.541  1.0
  Te  Te25  1  0.159  0.830  0.541  1.0
  Te  Te26  1  0.170  0.329  0.541  1.0
  Te  Te27  1  0.830  0.159  0.959  1.0
  Te  Te28  1  0.329  0.170  0.959  1.0
  Te  Te29  1  0.841  0.671  0.959  1.0
  Te  Te30  1  0.329  0.159  0.459  1.0
  Te  Te31  1  0.841  0.170  0.459  1.0
  Te  Te32  1  0.830  0.671  0.459  1.0
  Te  Te33  1  0.170  0.841  0.041  1.0
  Te  Te34  1  0.671  0.830  0.041  1.0
  Te  Te35  1  0.159  0.329  0.041  1.0
  Te  Te36  1  0.009  0.529  0.621  1.0
  Te  Te37  1  0.471  0.480  0.621  1.0
  Te  Te38  1  0.520  0.991  0.621  1.0
  Te  Te39  1  0.480  0.471  0.879  1.0
  Te  Te40  1  0.991  0.520  0.879  1.0
  Te  Te41  1  0.529  0.009  0.879  1.0
  Te  Te42  1  0.991  0.471  0.379  1.0
  Te  Te43  1  0.529  0.520  0.379  1.0
  Te  Te44  1  0.480  0.009  0.379  1.0
  Te  Te45  1  0.520  0.529  0.121  1.0
  Te  Te46  1  0.009  0.480  0.121  1.0
  Te  Te47  1  0.471  0.991  0.121  1.0
[/CIF]
.
The material described by NaTe3 crystallizes in the trigonal P-3c1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Na site, Na(2) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Na site, Na(3) is bonded to three equivalent Te(1) and three equivalent Te(3) atoms to form corner-sharing NaTe6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are three inequivalent Te sites. In the first Te site, Te(3) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), and one Te(1) atom. In the second Te site, Te(1) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(3), one Te(1), and one Te(3) atom. In the third Te site, Te(2) is bonded in a distorted linear geometry to one Na(1) and one Na(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.090
_cell_length_b   9.090
_cell_length_c   22.124
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1583.040
_cell_formula_units_Z   12
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  0.124  1.0
  Na  Na1  1  0.000  0.000  0.376  1.0
  Na  Na2  1  0.000  0.000  0.876  1.0
  Na  Na3  1  0.000  0.000  0.624  1.0
  Na  Na4  1  0.333  0.667  0.959  1.0
  Na  Na5  1  0.667  0.333  0.541  1.0
  Na  Na6  1  0.667  0.333  0.041  1.0
  Na  Na7  1  0.333  0.667  0.459  1.0
  Na  Na8  1  0.333  0.667  0.208  1.0
  Na  Na9  1  0.667  0.333  0.292  1.0
  Na  Na10  1  0.667  0.333  0.792  1.0
  Na  Na11  1  0.333  0.667  0.708  1.0
  Te  Te12  1  0.794  0.663  0.207  1.0
  Te  Te13  1  0.337  0.131  0.207  1.0
  Te  Te14  1  0.869  0.206  0.207  1.0
  Te  Te15  1  0.131  0.337  0.293  1.0
  Te  Te16  1  0.206  0.869  0.293  1.0
  Te  Te17  1  0.663  0.794  0.293  1.0
  Te  Te18  1  0.206  0.337  0.793  1.0
  Te  Te19  1  0.663  0.869  0.793  1.0
  Te  Te20  1  0.131  0.794  0.793  1.0
  Te  Te21  1  0.869  0.663  0.707  1.0
  Te  Te22  1  0.794  0.131  0.707  1.0
  Te  Te23  1  0.337  0.206  0.707  1.0
  Te  Te24  1  0.671  0.841  0.541  1.0
  Te  Te25  1  0.159  0.830  0.541  1.0
  Te  Te26  1  0.170  0.329  0.541  1.0
  Te  Te27  1  0.830  0.159  0.959  1.0
  Te  Te28  1  0.329  0.170  0.959  1.0
  Te  Te29  1  0.841  0.671  0.959  1.0
  Te  Te30  1  0.329  0.159  0.459  1.0
  Te  Te31  1  0.841  0.170  0.459  1.0
  Te  Te32  1  0.830  0.671  0.459  1.0
  Te  Te33  1  0.170  0.841  0.041  1.0
  Te  Te34  1  0.671  0.830  0.041  1.0
  Te  Te35  1  0.159  0.329  0.041  1.0
  Te  Te36  1  0.009  0.529  0.621  1.0
  Te  Te37  1  0.471  0.480  0.621  1.0
  Te  Te38  1  0.520  0.991  0.621  1.0
  Te  Te39  1  0.480  0.471  0.879  1.0
  Te  Te40  1  0.991  0.520  0.879  1.0
  Te  Te41  1  0.529  0.009  0.879  1.0
  Te  Te42  1  0.991  0.471  0.379  1.0
  Te  Te43  1  0.529  0.520  0.379  1.0
  Te  Te44  1  0.480  0.009  0.379  1.0
  Te  Te45  1  0.520  0.529  0.121  1.0
  Te  Te46  1  0.009  0.480  0.121  1.0
  Te  Te47  1  0.471  0.991  0.121  1.0
[/CIF]
.