The material structure described by Na5InS4 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted NaS4 tetrahedra that share corners with four equivalent Na(4)S6 octahedra, corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent Na(1)S4 tetrahedra, corners with two equivalent Na(3)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra,  an edgeedge with one Na(4)S6 octahedra,  an edgeedge with one Na(2)S5 square pyramid,  an edgeedge with one Na(1)S4 tetrahedra,  an edgeedge with one Na(3)S4 tetrahedra, and  an edgeedge with one In(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. In the second Na site, Na(2) is bonded to one S(3) and four equivalent S(2) atoms to form distorted NaS5 square pyramids that share corners with two equivalent Na(4)S6 octahedra, corners with three equivalent Na(3)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, corners with six equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Na(2)S5 square pyramids,  an edgeedge with one Na(3)S4 tetrahedra,  an edgeedge with one In(1)S4 tetrahedra, and edges with two equivalent Na(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 82°. In the third Na site, Na(3) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted NaS4 tetrahedra that share corners with two equivalent Na(4)S6 octahedra, corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent In(1)S4 tetrahedra, corners with four equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra,  an edgeedge with one Na(2)S5 square pyramid,  an edgeedge with one In(1)S4 tetrahedra, and edges with two equivalent Na(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. 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 distorted NaS6 octahedra that share corners with two equivalent Na(2)S5 square pyramids, corners with two equivalent Na(3)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with eight equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Na(2)S5 square pyramids, edges with two equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(3)S4 tetrahedra, and edges with two equivalent In(1)S4 tetrahedra. In(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form InS4 tetrahedra that share corners with two equivalent Na(4)S6 octahedra, corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent Na(3)S4 tetrahedra, corners with four equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra,  an edgeedge with one Na(2)S5 square pyramid,  an edgeedge with one Na(3)S4 tetrahedra, and edges with two equivalent Na(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(4), and one In(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Na(3), one Na(4), two equivalent Na(1), two equivalent Na(2), and one In(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), two equivalent Na(4), and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5InS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.752
_cell_length_b   6.762
_cell_length_c   7.812
_cell_angle_alpha   88.966
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.253
_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  0.480  0.344  0.665  1.0
  Na  Na1  1  0.980  0.656  0.335  1.0
  Na  Na2  1  0.520  0.656  0.335  1.0
  Na  Na3  1  0.020  0.344  0.665  1.0
  Na  Na4  1  0.750  0.025  0.529  1.0
  Na  Na5  1  0.250  0.975  0.471  1.0
  Na  Na6  1  0.750  0.331  0.161  1.0
  Na  Na7  1  0.250  0.669  0.839  1.0
  Na  Na8  1  0.000  0.000  0.000  1.0
  Na  Na9  1  0.500  0.000  0.000  1.0
  In  In10  1  0.250  0.361  0.176  1.0
  In  In11  1  0.750  0.639  0.824  1.0
  S  S12  1  0.250  0.240  0.879  1.0
  S  S13  1  0.750  0.760  0.121  1.0
  S  S14  1  0.982  0.767  0.672  1.0
  S  S15  1  0.482  0.233  0.328  1.0
  S  S16  1  0.018  0.233  0.328  1.0
  S  S17  1  0.518  0.767  0.672  1.0
  S  S18  1  0.750  0.271  0.822  1.0
  S  S19  1  0.250  0.729  0.178  1.0
[/CIF]
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The material structure described by Na5InS4 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted NaS4 tetrahedra that share corners with four equivalent Na(4)S6 octahedra, corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent Na(1)S4 tetrahedra, corners with two equivalent Na(3)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra,  an edgeedge with one Na(4)S6 octahedra,  an edgeedge with one Na(2)S5 square pyramid,  an edgeedge with one Na(1)S4 tetrahedra,  an edgeedge with one Na(3)S4 tetrahedra, and  an edgeedge with one In(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. In the second Na site, Na(2) is bonded to one S(3) and four equivalent S(2) atoms to form distorted NaS5 square pyramids that share corners with two equivalent Na(4)S6 octahedra, corners with three equivalent Na(3)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, corners with six equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Na(2)S5 square pyramids,  an edgeedge with one Na(3)S4 tetrahedra,  an edgeedge with one In(1)S4 tetrahedra, and edges with two equivalent Na(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 82°. In the third Na site, Na(3) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted NaS4 tetrahedra that share corners with two equivalent Na(4)S6 octahedra, corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent In(1)S4 tetrahedra, corners with four equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra,  an edgeedge with one Na(2)S5 square pyramid,  an edgeedge with one In(1)S4 tetrahedra, and edges with two equivalent Na(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. 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 distorted NaS6 octahedra that share corners with two equivalent Na(2)S5 square pyramids, corners with two equivalent Na(3)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with eight equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra, edges with two equivalent Na(2)S5 square pyramids, edges with two equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(3)S4 tetrahedra, and edges with two equivalent In(1)S4 tetrahedra. In(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form InS4 tetrahedra that share corners with two equivalent Na(4)S6 octahedra, corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent Na(3)S4 tetrahedra, corners with four equivalent Na(1)S4 tetrahedra, edges with two equivalent Na(4)S6 octahedra,  an edgeedge with one Na(2)S5 square pyramid,  an edgeedge with one Na(3)S4 tetrahedra, and edges with two equivalent Na(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(4), and one In(1) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Na(3), one Na(4), two equivalent Na(1), two equivalent Na(2), and one In(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), two equivalent Na(4), and one In(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5InS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.752
_cell_length_b   6.762
_cell_length_c   7.812
_cell_angle_alpha   88.966
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.253
_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  0.480  0.344  0.665  1.0
  Na  Na1  1  0.980  0.656  0.335  1.0
  Na  Na2  1  0.520  0.656  0.335  1.0
  Na  Na3  1  0.020  0.344  0.665  1.0
  Na  Na4  1  0.750  0.025  0.529  1.0
  Na  Na5  1  0.250  0.975  0.471  1.0
  Na  Na6  1  0.750  0.331  0.161  1.0
  Na  Na7  1  0.250  0.669  0.839  1.0
  Na  Na8  1  0.000  0.000  0.000  1.0
  Na  Na9  1  0.500  0.000  0.000  1.0
  In  In10  1  0.250  0.361  0.176  1.0
  In  In11  1  0.750  0.639  0.824  1.0
  S  S12  1  0.250  0.240  0.879  1.0
  S  S13  1  0.750  0.760  0.121  1.0
  S  S14  1  0.982  0.767  0.672  1.0
  S  S15  1  0.482  0.233  0.328  1.0
  S  S16  1  0.018  0.233  0.328  1.0
  S  S17  1  0.518  0.767  0.672  1.0
  S  S18  1  0.750  0.271  0.822  1.0
  S  S19  1  0.250  0.729  0.178  1.0
[/CIF]
.