The material structure described by Na6Sn2S7 crystallizes in the monoclinic C2/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(4), and two equivalent S(2) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the fourth Na site, Na(4) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Sn(1)S4 tetrahedra and edges with two equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 tetrahedra that share  a cornercorner with one Na(4)S6 octahedra,  a cornercorner with one Sn(1)S4 tetrahedra, and  an edgeedge with one Na(4)S6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), and one Sn(1) atom to form distorted SNa4Sn square pyramids that share  a cornercorner with one S(2)Na5Sn octahedra, corners with two equivalent S(1)Na4Sn square pyramids, and edges with three equivalent S(2)Na5Sn octahedra. The corner-sharing octahedral tilt angles are 92°. In the second S site, S(2) is bonded to one Na(4), two equivalent Na(1), two equivalent Na(2), and one Sn(1) atom to form SNa5Sn octahedra that share  a cornercorner with one S(2)Na5Sn octahedra,  a cornercorner with one S(1)Na4Sn square pyramid, edges with two equivalent S(2)Na5Sn octahedra, and edges with three equivalent S(1)Na4Sn square pyramids. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), and one Sn(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6Sn2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.135
_cell_length_b   7.135
_cell_length_c   15.154
_cell_angle_alpha   79.859
_cell_angle_beta   79.859
_cell_angle_gamma   97.298
_symmetry_Int_Tables_number   1
_cell_volume   737.496
_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
  Na  Na0  1  0.954  0.241  0.426  1.0
  Na  Na1  1  0.759  0.046  0.074  1.0
  Na  Na2  1  0.046  0.759  0.574  1.0
  Na  Na3  1  0.241  0.954  0.926  1.0
  Na  Na4  1  0.499  0.959  0.636  1.0
  Na  Na5  1  0.041  0.501  0.864  1.0
  Na  Na6  1  0.432  0.568  0.250  1.0
  Na  Na7  1  0.568  0.432  0.750  1.0
  Na  Na8  1  0.500  0.500  0.000  1.0
  Na  Na9  1  0.500  0.500  0.500  1.0
  Na  Na10  1  0.501  0.041  0.364  1.0
  Na  Na11  1  0.959  0.499  0.136  1.0
  Sn  Sn12  1  0.248  0.071  0.136  1.0
  Sn  Sn13  1  0.929  0.752  0.364  1.0
  Sn  Sn14  1  0.752  0.929  0.864  1.0
  Sn  Sn15  1  0.071  0.248  0.636  1.0
  S  S16  1  0.771  0.313  0.603  1.0
  S  S17  1  0.229  0.687  0.397  1.0
  S  S18  1  0.858  0.733  0.985  1.0
  S  S19  1  0.267  0.142  0.515  1.0
  S  S20  1  0.142  0.267  0.015  1.0
  S  S21  1  0.733  0.858  0.485  1.0
  S  S22  1  0.758  0.488  0.320  1.0
  S  S23  1  0.512  0.242  0.180  1.0
  S  S24  1  0.242  0.512  0.680  1.0
  S  S25  1  0.488  0.758  0.820  1.0
  S  S26  1  0.954  0.046  0.250  1.0
  S  S27  1  0.046  0.954  0.750  1.0
  S  S28  1  0.313  0.771  0.103  1.0
  S  S29  1  0.687  0.229  0.897  1.0
[/CIF]
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The material structure described by Na6Sn2S7 crystallizes in the monoclinic C2/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(4), and two equivalent S(2) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the fourth Na site, Na(4) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form NaS6 octahedra that share corners with two equivalent Sn(1)S4 tetrahedra and edges with two equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SnS4 tetrahedra that share  a cornercorner with one Na(4)S6 octahedra,  a cornercorner with one Sn(1)S4 tetrahedra, and  an edgeedge with one Na(4)S6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), and one Sn(1) atom to form distorted SNa4Sn square pyramids that share  a cornercorner with one S(2)Na5Sn octahedra, corners with two equivalent S(1)Na4Sn square pyramids, and edges with three equivalent S(2)Na5Sn octahedra. The corner-sharing octahedral tilt angles are 92°. In the second S site, S(2) is bonded to one Na(4), two equivalent Na(1), two equivalent Na(2), and one Sn(1) atom to form SNa5Sn octahedra that share  a cornercorner with one S(2)Na5Sn octahedra,  a cornercorner with one S(1)Na4Sn square pyramid, edges with two equivalent S(2)Na5Sn octahedra, and edges with three equivalent S(1)Na4Sn square pyramids. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), two equivalent Na(2), and one Sn(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6Sn2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.135
_cell_length_b   7.135
_cell_length_c   15.154
_cell_angle_alpha   79.859
_cell_angle_beta   79.859
_cell_angle_gamma   97.298
_symmetry_Int_Tables_number   1
_cell_volume   737.496
_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
  Na  Na0  1  0.954  0.241  0.426  1.0
  Na  Na1  1  0.759  0.046  0.074  1.0
  Na  Na2  1  0.046  0.759  0.574  1.0
  Na  Na3  1  0.241  0.954  0.926  1.0
  Na  Na4  1  0.499  0.959  0.636  1.0
  Na  Na5  1  0.041  0.501  0.864  1.0
  Na  Na6  1  0.432  0.568  0.250  1.0
  Na  Na7  1  0.568  0.432  0.750  1.0
  Na  Na8  1  0.500  0.500  0.000  1.0
  Na  Na9  1  0.500  0.500  0.500  1.0
  Na  Na10  1  0.501  0.041  0.364  1.0
  Na  Na11  1  0.959  0.499  0.136  1.0
  Sn  Sn12  1  0.248  0.071  0.136  1.0
  Sn  Sn13  1  0.929  0.752  0.364  1.0
  Sn  Sn14  1  0.752  0.929  0.864  1.0
  Sn  Sn15  1  0.071  0.248  0.636  1.0
  S  S16  1  0.771  0.313  0.603  1.0
  S  S17  1  0.229  0.687  0.397  1.0
  S  S18  1  0.858  0.733  0.985  1.0
  S  S19  1  0.267  0.142  0.515  1.0
  S  S20  1  0.142  0.267  0.015  1.0
  S  S21  1  0.733  0.858  0.485  1.0
  S  S22  1  0.758  0.488  0.320  1.0
  S  S23  1  0.512  0.242  0.180  1.0
  S  S24  1  0.242  0.512  0.680  1.0
  S  S25  1  0.488  0.758  0.820  1.0
  S  S26  1  0.954  0.046  0.250  1.0
  S  S27  1  0.046  0.954  0.750  1.0
  S  S28  1  0.313  0.771  0.103  1.0
  S  S29  1  0.687  0.229  0.897  1.0
[/CIF]
.