The structure described by Na7In3Se8 crystallizes in the triclinic P-1 space group. There are seven inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), one Se(7), and three equivalent Se(1) atoms. In the second Na site, Na(2) is bonded to one Se(1), one Se(2), one Se(4), one Se(5), and one Se(8) atom to form distorted NaSe5 square pyramids that share corners with three equivalent Na(5)Se6 octahedra,  a cornercorner with one Na(3)Se6 square pyramid, corners with two equivalent Na(7)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, corners with three equivalent In(3)Se4 tetrahedra,  an edgeedge with one Na(4)Se6 octahedra,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(2)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the third Na site, Na(3) is bonded to one Se(2), one Se(3), one Se(6), one Se(7), and two equivalent Se(8) atoms to form distorted NaSe6 square pyramids that share corners with two equivalent Na(5)Se6 octahedra,  a cornercorner with one Na(2)Se5 square pyramid, corners with two equivalent Na(3)Se6 square pyramids, corners with two equivalent Na(7)Se4 tetrahedra, corners with two equivalent In(1)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra, edges with three equivalent Na(4)Se6 octahedra,  an edgeedge with one Na(2)Se5 square pyramid,  an edgeedge with one Na(7)Se4 tetrahedra,  an edgeedge with one In(2)Se4 tetrahedra,  an edgeedge with one In(3)Se4 tetrahedra, and  a faceface with one Na(5)Se6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the fourth Na site, Na(4) is bonded to one Se(5), one Se(6), one Se(8), and three equivalent Se(3) atoms to form distorted NaSe6 octahedra that share corners with two equivalent Na(4)Se6 octahedra, corners with two equivalent Na(5)Se6 octahedra,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra, corners with three equivalent In(3)Se4 tetrahedra, edges with two equivalent Na(4)Se6 octahedra,  an edgeedge with one Na(2)Se5 square pyramid, edges with three equivalent Na(3)Se6 square pyramids,  an edgeedge with one In(3)Se4 tetrahedra, and edges with two equivalent Na(7)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-59°. In the fifth Na site, Na(5) is bonded to one Se(1), one Se(4), one Se(6), one Se(8), and two equivalent Se(7) atoms to form distorted NaSe6 octahedra that share corners with two equivalent Na(4)Se6 octahedra, corners with two equivalent Na(3)Se6 square pyramids, corners with three equivalent Na(2)Se5 square pyramids,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra,  an edgeedge with one Na(5)Se6 octahedra,  an edgeedge with one Na(7)Se4 tetrahedra,  an edgeedge with one In(1)Se4 tetrahedra, edges with two equivalent In(2)Se4 tetrahedra, and  a faceface with one Na(3)Se6 square pyramid. The corner-sharing octahedral tilt angles range from 35-59°. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one Se(2), one Se(3), one Se(4), one Se(6), and two equivalent Se(5) atoms. In the seventh Na site, Na(7) is bonded to one Se(3), one Se(4), one Se(6), and one Se(8) atom to form distorted NaSe4 tetrahedra that share  a cornercorner with one Na(4)Se6 octahedra,  a cornercorner with one Na(5)Se6 octahedra, corners with two equivalent Na(2)Se5 square pyramids, corners with two equivalent Na(3)Se6 square pyramids,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  an edgeedge with one Na(5)Se6 octahedra, edges with two equivalent Na(4)Se6 octahedra,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-77°. There are three inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(6) atom to form InSe4 tetrahedra that share  a cornercorner with one Na(4)Se6 octahedra,  a cornercorner with one Na(5)Se6 octahedra, corners with two equivalent Na(3)Se6 square pyramids, corners with three equivalent Na(2)Se5 square pyramids,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  an edgeedge with one Na(5)Se6 octahedra, and  an edgeedge with one Na(7)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the second In site, In(2) is bonded to one Se(1), one Se(8), and two equivalent Se(7) atoms to form InSe4 tetrahedra that share  a cornercorner with one Na(4)Se6 octahedra, corners with two equivalent Na(5)Se6 octahedra, corners with two equivalent Na(3)Se6 square pyramids,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra, edges with two equivalent Na(5)Se6 octahedra,  an edgeedge with one Na(2)Se5 square pyramid,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(2)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the third In site, In(3) is bonded to one Se(2), one Se(3), and two equivalent Se(5) atoms to form InSe4 tetrahedra that share corners with three equivalent Na(4)Se6 octahedra, corners with three equivalent Na(2)Se5 square pyramids,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  an edgeedge with one Na(4)Se6 octahedra,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(3)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-66°. There are eight inequivalent Se sites. In the first Se site, Se(7) is bonded to one Na(1), one Na(3), two equivalent Na(5), and two equivalent In(2) atoms to form distorted SeNa4In2 pentagonal pyramids that share  a cornercorner with one Se(4)Na5In pentagonal pyramid,  a cornercorner with one Se(6)Na5In pentagonal pyramid,  an edgeedge with one Se(4)Na5In pentagonal pyramid,  an edgeedge with one Se(6)Na5In pentagonal pyramid, and edges with two equivalent Se(7)Na4In2 pentagonal pyramids. In the second Se site, Se(8) is bonded in a 7-coordinate geometry to one Na(2), one Na(4), one Na(5), one Na(7), two equivalent Na(3), and one In(2) atom. In the third Se site, Se(1) is bonded in a 7-coordinate geometry to one Na(2), one Na(5), three equivalent Na(1), one In(1), and one In(2) atom. In the fourth Se site, Se(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(6), one In(1), and one In(3) atom. In the fifth Se site, Se(3) is bonded in a 7-coordinate geometry to one Na(3), one Na(6), one Na(7), three equivalent Na(4), and one In(3) atom. In the sixth Se site, Se(4) is bonded to one Na(1), one Na(2), one Na(5), one Na(6), one Na(7), and one In(1) atom to form distorted SeNa5In pentagonal pyramids that share  a cornercorner with one Se(5)Na4In2 pentagonal pyramid,  a cornercorner with one Se(7)Na4In2 pentagonal pyramid,  an edgeedge with one Se(5)Na4In2 pentagonal pyramid,  an edgeedge with one Se(7)Na4In2 pentagonal pyramid, and edges with two equivalent Se(6)Na5In pentagonal pyramids. In the seventh Se site, Se(5) is bonded to one Na(2), one Na(4), two equivalent Na(6), and two equivalent In(3) atoms to form distorted SeNa4In2 pentagonal pyramids that share  a cornercorner with one Se(4)Na5In pentagonal pyramid,  a cornercorner with one Se(6)Na5In pentagonal pyramid,  an edgeedge with one Se(4)Na5In pentagonal pyramid,  an edgeedge with one Se(6)Na5In pentagonal pyramid, and edges with two equivalent Se(5)Na4In2 pentagonal pyramids. In the eighth Se site, Se(6) is bonded to one Na(3), one Na(4), one Na(5), one Na(6), one Na(7), and one In(1) atom to form distorted SeNa5In pentagonal pyramids that share  a cornercorner with one Se(5)Na4In2 pentagonal pyramid,  a cornercorner with one Se(7)Na4In2 pentagonal pyramid,  an edgeedge with one Se(5)Na4In2 pentagonal pyramid,  an edgeedge with one Se(7)Na4In2 pentagonal pyramid, and edges with two equivalent Se(4)Na5In pentagonal pyramids. is represented by the CIF card [CIF]
data_Na7In3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   10.451
_cell_length_c   13.542
_cell_angle_alpha   91.570
_cell_angle_beta   90.044
_cell_angle_gamma   90.229
_symmetry_Int_Tables_number   1
_cell_volume   948.352
_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  0.745  0.128  0.484  1.0
  Na  Na1  1  0.255  0.872  0.516  1.0
  Na  Na2  1  0.280  0.109  0.274  1.0
  Na  Na3  1  0.720  0.891  0.726  1.0
  Na  Na4  1  0.732  0.386  0.234  1.0
  Na  Na5  1  0.268  0.614  0.766  1.0
  Na  Na6  1  0.254  0.360  0.020  1.0
  Na  Na7  1  0.746  0.640  0.980  1.0
  Na  Na8  1  0.482  0.623  0.366  1.0
  Na  Na9  1  0.518  0.377  0.634  1.0
  Na  Na10  1  0.478  0.860  0.124  1.0
  Na  Na11  1  0.522  0.140  0.876  1.0
  Na  Na12  1  0.146  0.626  0.178  1.0
  Na  Na13  1  0.854  0.374  0.822  1.0
  In  In14  1  0.128  0.156  0.695  1.0
  In  In15  1  0.872  0.844  0.305  1.0
  In  In16  1  0.137  0.382  0.435  1.0
  In  In17  1  0.863  0.618  0.565  1.0
  In  In18  1  0.135  0.888  0.926  1.0
  In  In19  1  0.865  0.112  0.074  1.0
  Se  Se20  1  0.258  0.167  0.509  1.0
  Se  Se21  1  0.742  0.833  0.491  1.0
  Se  Se22  1  0.254  0.925  0.744  1.0
  Se  Se23  1  0.746  0.075  0.256  1.0
  Se  Se24  1  0.254  0.668  0.977  1.0
  Se  Se25  1  0.746  0.332  0.023  1.0
  Se  Se26  1  0.749  0.158  0.694  1.0
  Se  Se27  1  0.251  0.842  0.306  1.0
  Se  Se28  1  0.251  0.077  0.048  1.0
  Se  Se29  1  0.749  0.923  0.952  1.0
  Se  Se30  1  0.273  0.338  0.804  1.0
  Se  Se31  1  0.727  0.662  0.196  1.0
  Se  Se32  1  0.750  0.418  0.453  1.0
  Se  Se33  1  0.250  0.582  0.547  1.0
  Se  Se34  1  0.262  0.386  0.257  1.0
  Se  Se35  1  0.738  0.614  0.743  1.0
[/CIF]
.
The structure described by Na7In3Se8 crystallizes in the triclinic P-1 space group. There are seven inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), one Se(7), and three equivalent Se(1) atoms. In the second Na site, Na(2) is bonded to one Se(1), one Se(2), one Se(4), one Se(5), and one Se(8) atom to form distorted NaSe5 square pyramids that share corners with three equivalent Na(5)Se6 octahedra,  a cornercorner with one Na(3)Se6 square pyramid, corners with two equivalent Na(7)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, corners with three equivalent In(3)Se4 tetrahedra,  an edgeedge with one Na(4)Se6 octahedra,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(2)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the third Na site, Na(3) is bonded to one Se(2), one Se(3), one Se(6), one Se(7), and two equivalent Se(8) atoms to form distorted NaSe6 square pyramids that share corners with two equivalent Na(5)Se6 octahedra,  a cornercorner with one Na(2)Se5 square pyramid, corners with two equivalent Na(3)Se6 square pyramids, corners with two equivalent Na(7)Se4 tetrahedra, corners with two equivalent In(1)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra, edges with three equivalent Na(4)Se6 octahedra,  an edgeedge with one Na(2)Se5 square pyramid,  an edgeedge with one Na(7)Se4 tetrahedra,  an edgeedge with one In(2)Se4 tetrahedra,  an edgeedge with one In(3)Se4 tetrahedra, and  a faceface with one Na(5)Se6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the fourth Na site, Na(4) is bonded to one Se(5), one Se(6), one Se(8), and three equivalent Se(3) atoms to form distorted NaSe6 octahedra that share corners with two equivalent Na(4)Se6 octahedra, corners with two equivalent Na(5)Se6 octahedra,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra, corners with three equivalent In(3)Se4 tetrahedra, edges with two equivalent Na(4)Se6 octahedra,  an edgeedge with one Na(2)Se5 square pyramid, edges with three equivalent Na(3)Se6 square pyramids,  an edgeedge with one In(3)Se4 tetrahedra, and edges with two equivalent Na(7)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-59°. In the fifth Na site, Na(5) is bonded to one Se(1), one Se(4), one Se(6), one Se(8), and two equivalent Se(7) atoms to form distorted NaSe6 octahedra that share corners with two equivalent Na(4)Se6 octahedra, corners with two equivalent Na(3)Se6 square pyramids, corners with three equivalent Na(2)Se5 square pyramids,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra,  an edgeedge with one Na(5)Se6 octahedra,  an edgeedge with one Na(7)Se4 tetrahedra,  an edgeedge with one In(1)Se4 tetrahedra, edges with two equivalent In(2)Se4 tetrahedra, and  a faceface with one Na(3)Se6 square pyramid. The corner-sharing octahedral tilt angles range from 35-59°. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one Se(2), one Se(3), one Se(4), one Se(6), and two equivalent Se(5) atoms. In the seventh Na site, Na(7) is bonded to one Se(3), one Se(4), one Se(6), and one Se(8) atom to form distorted NaSe4 tetrahedra that share  a cornercorner with one Na(4)Se6 octahedra,  a cornercorner with one Na(5)Se6 octahedra, corners with two equivalent Na(2)Se5 square pyramids, corners with two equivalent Na(3)Se6 square pyramids,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  an edgeedge with one Na(5)Se6 octahedra, edges with two equivalent Na(4)Se6 octahedra,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-77°. There are three inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(6) atom to form InSe4 tetrahedra that share  a cornercorner with one Na(4)Se6 octahedra,  a cornercorner with one Na(5)Se6 octahedra, corners with two equivalent Na(3)Se6 square pyramids, corners with three equivalent Na(2)Se5 square pyramids,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  an edgeedge with one Na(5)Se6 octahedra, and  an edgeedge with one Na(7)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the second In site, In(2) is bonded to one Se(1), one Se(8), and two equivalent Se(7) atoms to form InSe4 tetrahedra that share  a cornercorner with one Na(4)Se6 octahedra, corners with two equivalent Na(5)Se6 octahedra, corners with two equivalent Na(3)Se6 square pyramids,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra, edges with two equivalent Na(5)Se6 octahedra,  an edgeedge with one Na(2)Se5 square pyramid,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(2)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the third In site, In(3) is bonded to one Se(2), one Se(3), and two equivalent Se(5) atoms to form InSe4 tetrahedra that share corners with three equivalent Na(4)Se6 octahedra, corners with three equivalent Na(2)Se5 square pyramids,  a cornercorner with one Na(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  an edgeedge with one Na(4)Se6 octahedra,  an edgeedge with one Na(3)Se6 square pyramid, and  an edgeedge with one In(3)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-66°. There are eight inequivalent Se sites. In the first Se site, Se(7) is bonded to one Na(1), one Na(3), two equivalent Na(5), and two equivalent In(2) atoms to form distorted SeNa4In2 pentagonal pyramids that share  a cornercorner with one Se(4)Na5In pentagonal pyramid,  a cornercorner with one Se(6)Na5In pentagonal pyramid,  an edgeedge with one Se(4)Na5In pentagonal pyramid,  an edgeedge with one Se(6)Na5In pentagonal pyramid, and edges with two equivalent Se(7)Na4In2 pentagonal pyramids. In the second Se site, Se(8) is bonded in a 7-coordinate geometry to one Na(2), one Na(4), one Na(5), one Na(7), two equivalent Na(3), and one In(2) atom. In the third Se site, Se(1) is bonded in a 7-coordinate geometry to one Na(2), one Na(5), three equivalent Na(1), one In(1), and one In(2) atom. In the fourth Se site, Se(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(6), one In(1), and one In(3) atom. In the fifth Se site, Se(3) is bonded in a 7-coordinate geometry to one Na(3), one Na(6), one Na(7), three equivalent Na(4), and one In(3) atom. In the sixth Se site, Se(4) is bonded to one Na(1), one Na(2), one Na(5), one Na(6), one Na(7), and one In(1) atom to form distorted SeNa5In pentagonal pyramids that share  a cornercorner with one Se(5)Na4In2 pentagonal pyramid,  a cornercorner with one Se(7)Na4In2 pentagonal pyramid,  an edgeedge with one Se(5)Na4In2 pentagonal pyramid,  an edgeedge with one Se(7)Na4In2 pentagonal pyramid, and edges with two equivalent Se(6)Na5In pentagonal pyramids. In the seventh Se site, Se(5) is bonded to one Na(2), one Na(4), two equivalent Na(6), and two equivalent In(3) atoms to form distorted SeNa4In2 pentagonal pyramids that share  a cornercorner with one Se(4)Na5In pentagonal pyramid,  a cornercorner with one Se(6)Na5In pentagonal pyramid,  an edgeedge with one Se(4)Na5In pentagonal pyramid,  an edgeedge with one Se(6)Na5In pentagonal pyramid, and edges with two equivalent Se(5)Na4In2 pentagonal pyramids. In the eighth Se site, Se(6) is bonded to one Na(3), one Na(4), one Na(5), one Na(6), one Na(7), and one In(1) atom to form distorted SeNa5In pentagonal pyramids that share  a cornercorner with one Se(5)Na4In2 pentagonal pyramid,  a cornercorner with one Se(7)Na4In2 pentagonal pyramid,  an edgeedge with one Se(5)Na4In2 pentagonal pyramid,  an edgeedge with one Se(7)Na4In2 pentagonal pyramid, and edges with two equivalent Se(4)Na5In pentagonal pyramids. is represented by the CIF card [CIF]
data_Na7In3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   10.451
_cell_length_c   13.542
_cell_angle_alpha   91.570
_cell_angle_beta   90.044
_cell_angle_gamma   90.229
_symmetry_Int_Tables_number   1
_cell_volume   948.352
_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  0.745  0.128  0.484  1.0
  Na  Na1  1  0.255  0.872  0.516  1.0
  Na  Na2  1  0.280  0.109  0.274  1.0
  Na  Na3  1  0.720  0.891  0.726  1.0
  Na  Na4  1  0.732  0.386  0.234  1.0
  Na  Na5  1  0.268  0.614  0.766  1.0
  Na  Na6  1  0.254  0.360  0.020  1.0
  Na  Na7  1  0.746  0.640  0.980  1.0
  Na  Na8  1  0.482  0.623  0.366  1.0
  Na  Na9  1  0.518  0.377  0.634  1.0
  Na  Na10  1  0.478  0.860  0.124  1.0
  Na  Na11  1  0.522  0.140  0.876  1.0
  Na  Na12  1  0.146  0.626  0.178  1.0
  Na  Na13  1  0.854  0.374  0.822  1.0
  In  In14  1  0.128  0.156  0.695  1.0
  In  In15  1  0.872  0.844  0.305  1.0
  In  In16  1  0.137  0.382  0.435  1.0
  In  In17  1  0.863  0.618  0.565  1.0
  In  In18  1  0.135  0.888  0.926  1.0
  In  In19  1  0.865  0.112  0.074  1.0
  Se  Se20  1  0.258  0.167  0.509  1.0
  Se  Se21  1  0.742  0.833  0.491  1.0
  Se  Se22  1  0.254  0.925  0.744  1.0
  Se  Se23  1  0.746  0.075  0.256  1.0
  Se  Se24  1  0.254  0.668  0.977  1.0
  Se  Se25  1  0.746  0.332  0.023  1.0
  Se  Se26  1  0.749  0.158  0.694  1.0
  Se  Se27  1  0.251  0.842  0.306  1.0
  Se  Se28  1  0.251  0.077  0.048  1.0
  Se  Se29  1  0.749  0.923  0.952  1.0
  Se  Se30  1  0.273  0.338  0.804  1.0
  Se  Se31  1  0.727  0.662  0.196  1.0
  Se  Se32  1  0.750  0.418  0.453  1.0
  Se  Se33  1  0.250  0.582  0.547  1.0
  Se  Se34  1  0.262  0.386  0.257  1.0
  Se  Se35  1  0.738  0.614  0.743  1.0
[/CIF]
.