The crystal structure described by Na3SiTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. Si(1) is bonded to one Si(1), one Te(1), one Te(2), and one Te(3) atom to form SiSiTe3 tetrahedra that share  a cornercorner with one Te(2)Na6Si pentagonal bipyramid and  a cornercorner with one Te(3)Na6Si pentagonal bipyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one Si(1) atom. In the second Te site, Te(2) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Si(1) atom to form distorted TeNa6Si pentagonal bipyramids that share corners with two equivalent Te(2)Na6Si pentagonal bipyramids, corners with three equivalent Te(3)Na6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with two equivalent Te(2)Na6Si pentagonal bipyramids, edges with two equivalent Te(3)Na6Si pentagonal bipyramids, and faces with two equivalent Te(3)Na6Si pentagonal bipyramids. In the third Te site, Te(3) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Si(1) atom to form distorted TeNa6Si pentagonal bipyramids that share corners with three equivalent Te(2)Na6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with two equivalent Te(2)Na6Si pentagonal bipyramids, faces with two equivalent Te(2)Na6Si pentagonal bipyramids, and faces with two equivalent Te(3)Na6Si pentagonal bipyramids. is represented by the CIF card [CIF]
data_Na3SiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.897
_cell_length_b   8.893
_cell_length_c   9.018
_cell_angle_alpha   59.622
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   892.339
_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  0.229  0.029  0.724  1.0
  Na  Na1  1  0.729  0.971  0.776  1.0
  Na  Na2  1  0.771  0.971  0.276  1.0
  Na  Na3  1  0.271  0.029  0.224  1.0
  Na  Na4  1  0.558  0.274  0.027  1.0
  Na  Na5  1  0.058  0.726  0.473  1.0
  Na  Na6  1  0.442  0.726  0.973  1.0
  Na  Na7  1  0.942  0.274  0.527  1.0
  Na  Na8  1  0.152  0.506  0.979  1.0
  Na  Na9  1  0.652  0.494  0.521  1.0
  Na  Na10  1  0.848  0.494  0.021  1.0
  Na  Na11  1  0.348  0.506  0.479  1.0
  Si  Si12  1  0.009  0.853  0.033  1.0
  Si  Si13  1  0.509  0.147  0.468  1.0
  Si  Si14  1  0.991  0.147  0.968  1.0
  Si  Si15  1  0.491  0.853  0.532  1.0
  Te  Te16  1  0.623  0.665  0.759  1.0
  Te  Te17  1  0.123  0.335  0.741  1.0
  Te  Te18  1  0.377  0.335  0.241  1.0
  Te  Te19  1  0.877  0.665  0.259  1.0
  Te  Te20  1  0.525  0.849  0.258  1.0
  Te  Te21  1  0.025  0.151  0.242  1.0
  Te  Te22  1  0.475  0.151  0.742  1.0
  Te  Te23  1  0.975  0.849  0.758  1.0
  Te  Te24  1  0.307  0.750  0.636  1.0
  Te  Te25  1  0.807  0.250  0.864  1.0
  Te  Te26  1  0.693  0.250  0.364  1.0
  Te  Te27  1  0.193  0.750  0.136  1.0
[/CIF]
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The crystal structure described by Na3SiTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. Si(1) is bonded to one Si(1), one Te(1), one Te(2), and one Te(3) atom to form SiSiTe3 tetrahedra that share  a cornercorner with one Te(2)Na6Si pentagonal bipyramid and  a cornercorner with one Te(3)Na6Si pentagonal bipyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one Si(1) atom. In the second Te site, Te(2) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Si(1) atom to form distorted TeNa6Si pentagonal bipyramids that share corners with two equivalent Te(2)Na6Si pentagonal bipyramids, corners with three equivalent Te(3)Na6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with two equivalent Te(2)Na6Si pentagonal bipyramids, edges with two equivalent Te(3)Na6Si pentagonal bipyramids, and faces with two equivalent Te(3)Na6Si pentagonal bipyramids. In the third Te site, Te(3) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Si(1) atom to form distorted TeNa6Si pentagonal bipyramids that share corners with three equivalent Te(2)Na6Si pentagonal bipyramids,  a cornercorner with one Si(1)SiTe3 tetrahedra, edges with two equivalent Te(2)Na6Si pentagonal bipyramids, faces with two equivalent Te(2)Na6Si pentagonal bipyramids, and faces with two equivalent Te(3)Na6Si pentagonal bipyramids. is represented by the CIF card [CIF]
data_Na3SiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.897
_cell_length_b   8.893
_cell_length_c   9.018
_cell_angle_alpha   59.622
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   892.339
_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  0.229  0.029  0.724  1.0
  Na  Na1  1  0.729  0.971  0.776  1.0
  Na  Na2  1  0.771  0.971  0.276  1.0
  Na  Na3  1  0.271  0.029  0.224  1.0
  Na  Na4  1  0.558  0.274  0.027  1.0
  Na  Na5  1  0.058  0.726  0.473  1.0
  Na  Na6  1  0.442  0.726  0.973  1.0
  Na  Na7  1  0.942  0.274  0.527  1.0
  Na  Na8  1  0.152  0.506  0.979  1.0
  Na  Na9  1  0.652  0.494  0.521  1.0
  Na  Na10  1  0.848  0.494  0.021  1.0
  Na  Na11  1  0.348  0.506  0.479  1.0
  Si  Si12  1  0.009  0.853  0.033  1.0
  Si  Si13  1  0.509  0.147  0.468  1.0
  Si  Si14  1  0.991  0.147  0.968  1.0
  Si  Si15  1  0.491  0.853  0.532  1.0
  Te  Te16  1  0.623  0.665  0.759  1.0
  Te  Te17  1  0.123  0.335  0.741  1.0
  Te  Te18  1  0.377  0.335  0.241  1.0
  Te  Te19  1  0.877  0.665  0.259  1.0
  Te  Te20  1  0.525  0.849  0.258  1.0
  Te  Te21  1  0.025  0.151  0.242  1.0
  Te  Te22  1  0.475  0.151  0.742  1.0
  Te  Te23  1  0.975  0.849  0.758  1.0
  Te  Te24  1  0.307  0.750  0.636  1.0
  Te  Te25  1  0.807  0.250  0.864  1.0
  Te  Te26  1  0.693  0.250  0.364  1.0
  Te  Te27  1  0.193  0.750  0.136  1.0
[/CIF]
.