The structure described by Ba2InS4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(7), and three equivalent S(4) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(6), one S(8), and three equivalent S(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(5), one S(8), and three equivalent S(6) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(3), one S(4), one S(5), and one S(8) atom to form corner-sharing InS4 tetrahedra. In the second In site, In(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form corner-sharing InS4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Ba(2), one Ba(3), one Ba(4), two equivalent Ba(1), and one S(2) atom to form distorted SBa5S pentagonal pyramids that share corners with three equivalent S(4)Ba5In octahedra, corners with two equivalent S(2)Ba5S pentagonal pyramids, corners with two equivalent S(5)Ba3In2 square pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid,  an edgeedge with one S(5)Ba3In2 square pyramid,  an edgeedge with one S(6)Ba4In trigonal bipyramid,  a faceface with one S(4)Ba5In octahedra, and  a faceface with one S(2)Ba5S pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-63°. In the second S site, S(2) is bonded to one Ba(2), one Ba(3), one Ba(4), two equivalent Ba(1), and one S(1) atom to form distorted SBa5S pentagonal pyramids that share corners with three equivalent S(4)Ba5In octahedra, corners with two equivalent S(1)Ba5S pentagonal pyramids, corners with two equivalent S(5)Ba3In2 square pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid,  an edgeedge with one S(5)Ba3In2 square pyramid,  an edgeedge with one S(6)Ba4In trigonal bipyramid,  a faceface with one S(4)Ba5In octahedra, and  a faceface with one S(1)Ba5S pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-63°. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(1), and one In(1) atom. In the fourth S site, S(4) is bonded to one Ba(1), one Ba(3), three equivalent Ba(2), and one In(1) atom to form distorted SBa5In octahedra that share corners with two equivalent S(4)Ba5In octahedra, corners with three equivalent S(1)Ba5S pentagonal pyramids, corners with three equivalent S(2)Ba5S pentagonal pyramids,  a cornercorner with one S(5)Ba3In2 square pyramid,  a cornercorner with one S(6)Ba4In trigonal bipyramid, edges with two equivalent S(4)Ba5In octahedra, edges with two equivalent S(5)Ba3In2 square pyramids,  a faceface with one S(1)Ba5S pentagonal pyramid, and  a faceface with one S(2)Ba5S pentagonal pyramid. The corner-sharing octahedral tilt angles are 16°. In the fifth S site, S(5) is bonded to one Ba(1), one Ba(2), one Ba(4), one In(1), and one In(2) atom to form distorted SBa3In2 square pyramids that share  a cornercorner with one S(4)Ba5In octahedra, corners with two equivalent S(1)Ba5S pentagonal pyramids, corners with two equivalent S(2)Ba5S pentagonal pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids, edges with two equivalent S(4)Ba5In octahedra,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid, and  an edgeedge with one S(6)Ba4In trigonal bipyramid. The corner-sharing octahedral tilt angles are 90°. In the sixth S site, S(6) is bonded to one Ba(3), three equivalent Ba(4), and one In(2) atom to form distorted SBa4In trigonal bipyramids that share  a cornercorner with one S(4)Ba5In octahedra, corners with two equivalent S(1)Ba5S pentagonal pyramids, corners with two equivalent S(2)Ba5S pentagonal pyramids, corners with two equivalent S(5)Ba3In2 square pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid,  an edgeedge with one S(5)Ba3In2 square pyramid, and edges with two equivalent S(6)Ba4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(3), and one In(2) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Ba(3), one Ba(4), one In(1), and one In(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2InS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.315
_cell_length_b   10.153
_cell_length_c   13.154
_cell_angle_alpha   104.210
_cell_angle_beta   90.428
_cell_angle_gamma   91.010
_symmetry_Int_Tables_number   1
_cell_volume   817.312
_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
  Ba  Ba0  1  0.746  0.378  0.523  1.0
  Ba  Ba1  1  0.254  0.622  0.477  1.0
  Ba  Ba2  1  0.762  0.921  0.619  1.0
  Ba  Ba3  1  0.238  0.079  0.381  1.0
  Ba  Ba4  1  0.259  0.893  0.850  1.0
  Ba  Ba5  1  0.741  0.107  0.150  1.0
  Ba  Ba6  1  0.744  0.574  0.892  1.0
  Ba  Ba7  1  0.256  0.426  0.108  1.0
  In  In8  1  0.678  0.793  0.303  1.0
  In  In9  1  0.322  0.207  0.697  1.0
  In  In10  1  0.833  0.197  0.888  1.0
  In  In11  1  0.167  0.803  0.112  1.0
  S  S12  1  0.586  0.653  0.686  1.0
  S  S13  1  0.414  0.347  0.314  1.0
  S  S14  1  0.918  0.652  0.687  1.0
  S  S15  1  0.082  0.348  0.313  1.0
  S  S16  1  0.760  0.665  0.429  1.0
  S  S17  1  0.240  0.335  0.571  1.0
  S  S18  1  0.264  0.960  0.608  1.0
  S  S19  1  0.736  0.040  0.392  1.0
  S  S20  1  0.718  0.256  0.724  1.0
  S  S21  1  0.282  0.744  0.276  1.0
  S  S22  1  0.247  0.633  0.953  1.0
  S  S23  1  0.753  0.367  0.047  1.0
  S  S24  1  0.756  0.962  0.886  1.0
  S  S25  1  0.244  0.038  0.114  1.0
  S  S26  1  0.772  0.780  0.120  1.0
  S  S27  1  0.228  0.220  0.880  1.0
[/CIF]
.
The structure described by Ba2InS4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(7), and three equivalent S(4) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(6), one S(8), and three equivalent S(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(5), one S(8), and three equivalent S(6) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(3), one S(4), one S(5), and one S(8) atom to form corner-sharing InS4 tetrahedra. In the second In site, In(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form corner-sharing InS4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Ba(2), one Ba(3), one Ba(4), two equivalent Ba(1), and one S(2) atom to form distorted SBa5S pentagonal pyramids that share corners with three equivalent S(4)Ba5In octahedra, corners with two equivalent S(2)Ba5S pentagonal pyramids, corners with two equivalent S(5)Ba3In2 square pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid,  an edgeedge with one S(5)Ba3In2 square pyramid,  an edgeedge with one S(6)Ba4In trigonal bipyramid,  a faceface with one S(4)Ba5In octahedra, and  a faceface with one S(2)Ba5S pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-63°. In the second S site, S(2) is bonded to one Ba(2), one Ba(3), one Ba(4), two equivalent Ba(1), and one S(1) atom to form distorted SBa5S pentagonal pyramids that share corners with three equivalent S(4)Ba5In octahedra, corners with two equivalent S(1)Ba5S pentagonal pyramids, corners with two equivalent S(5)Ba3In2 square pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid,  an edgeedge with one S(5)Ba3In2 square pyramid,  an edgeedge with one S(6)Ba4In trigonal bipyramid,  a faceface with one S(4)Ba5In octahedra, and  a faceface with one S(1)Ba5S pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-63°. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(1), and one In(1) atom. In the fourth S site, S(4) is bonded to one Ba(1), one Ba(3), three equivalent Ba(2), and one In(1) atom to form distorted SBa5In octahedra that share corners with two equivalent S(4)Ba5In octahedra, corners with three equivalent S(1)Ba5S pentagonal pyramids, corners with three equivalent S(2)Ba5S pentagonal pyramids,  a cornercorner with one S(5)Ba3In2 square pyramid,  a cornercorner with one S(6)Ba4In trigonal bipyramid, edges with two equivalent S(4)Ba5In octahedra, edges with two equivalent S(5)Ba3In2 square pyramids,  a faceface with one S(1)Ba5S pentagonal pyramid, and  a faceface with one S(2)Ba5S pentagonal pyramid. The corner-sharing octahedral tilt angles are 16°. In the fifth S site, S(5) is bonded to one Ba(1), one Ba(2), one Ba(4), one In(1), and one In(2) atom to form distorted SBa3In2 square pyramids that share  a cornercorner with one S(4)Ba5In octahedra, corners with two equivalent S(1)Ba5S pentagonal pyramids, corners with two equivalent S(2)Ba5S pentagonal pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids, edges with two equivalent S(4)Ba5In octahedra,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid, and  an edgeedge with one S(6)Ba4In trigonal bipyramid. The corner-sharing octahedral tilt angles are 90°. In the sixth S site, S(6) is bonded to one Ba(3), three equivalent Ba(4), and one In(2) atom to form distorted SBa4In trigonal bipyramids that share  a cornercorner with one S(4)Ba5In octahedra, corners with two equivalent S(1)Ba5S pentagonal pyramids, corners with two equivalent S(2)Ba5S pentagonal pyramids, corners with two equivalent S(5)Ba3In2 square pyramids, corners with two equivalent S(6)Ba4In trigonal bipyramids,  an edgeedge with one S(1)Ba5S pentagonal pyramid,  an edgeedge with one S(2)Ba5S pentagonal pyramid,  an edgeedge with one S(5)Ba3In2 square pyramid, and edges with two equivalent S(6)Ba4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(3), and one In(2) atom. In the eighth S site, S(8) is bonded in a rectangular see-saw-like geometry to one Ba(3), one Ba(4), one In(1), and one In(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2InS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.315
_cell_length_b   10.153
_cell_length_c   13.154
_cell_angle_alpha   104.210
_cell_angle_beta   90.428
_cell_angle_gamma   91.010
_symmetry_Int_Tables_number   1
_cell_volume   817.312
_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
  Ba  Ba0  1  0.746  0.378  0.523  1.0
  Ba  Ba1  1  0.254  0.622  0.477  1.0
  Ba  Ba2  1  0.762  0.921  0.619  1.0
  Ba  Ba3  1  0.238  0.079  0.381  1.0
  Ba  Ba4  1  0.259  0.893  0.850  1.0
  Ba  Ba5  1  0.741  0.107  0.150  1.0
  Ba  Ba6  1  0.744  0.574  0.892  1.0
  Ba  Ba7  1  0.256  0.426  0.108  1.0
  In  In8  1  0.678  0.793  0.303  1.0
  In  In9  1  0.322  0.207  0.697  1.0
  In  In10  1  0.833  0.197  0.888  1.0
  In  In11  1  0.167  0.803  0.112  1.0
  S  S12  1  0.586  0.653  0.686  1.0
  S  S13  1  0.414  0.347  0.314  1.0
  S  S14  1  0.918  0.652  0.687  1.0
  S  S15  1  0.082  0.348  0.313  1.0
  S  S16  1  0.760  0.665  0.429  1.0
  S  S17  1  0.240  0.335  0.571  1.0
  S  S18  1  0.264  0.960  0.608  1.0
  S  S19  1  0.736  0.040  0.392  1.0
  S  S20  1  0.718  0.256  0.724  1.0
  S  S21  1  0.282  0.744  0.276  1.0
  S  S22  1  0.247  0.633  0.953  1.0
  S  S23  1  0.753  0.367  0.047  1.0
  S  S24  1  0.756  0.962  0.886  1.0
  S  S25  1  0.244  0.038  0.114  1.0
  S  S26  1  0.772  0.780  0.120  1.0
  S  S27  1  0.228  0.220  0.880  1.0
[/CIF]
.