The structure described by Li2In2SiS6 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form LiS4 trigonal pyramids that share corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and corners with three equivalent In(2)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(6) atom to form LiS4 tetrahedra that share corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, corners with three equivalent In(2)S4 tetrahedra, and corners with two equivalent Li(1)S4 trigonal pyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form InS4 tetrahedra that share corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Li(2)S4 tetrahedra, and corners with three equivalent Li(1)S4 trigonal pyramids. In the second In site, In(2) is bonded to one S(1), one S(2), one S(4), and one S(6) atom to form InS4 tetrahedra that share corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Li(2)S4 tetrahedra, and corners with three equivalent Li(1)S4 trigonal pyramids. Si(1) is bonded to one S(3), one S(4), one S(5), and one S(6) atom to form SiS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, and corners with two equivalent Li(1)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one In(1), and one In(2) atom to form corner-sharing SLi2In2 tetrahedra. In the second S site, S(2) is bonded to one Li(1), one Li(2), one In(1), and one In(2) atom to form distorted corner-sharing SLi2In2 tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(2), one In(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one In(2), and one Si(1) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one In(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one In(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Li2In2SiS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   12.237
_cell_angle_alpha   72.801
_cell_angle_beta   72.801
_cell_angle_gamma   60.421
_symmetry_Int_Tables_number   1
_cell_volume   501.739
_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
  Li  Li0  1  0.402  0.015  0.842  1.0
  Li  Li1  1  0.015  0.402  0.342  1.0
  Li  Li2  1  0.400  0.598  0.497  1.0
  Li  Li3  1  0.598  0.400  0.997  1.0
  In  In4  1  0.119  0.924  0.188  1.0
  In  In5  1  0.924  0.119  0.688  1.0
  In  In6  1  0.772  0.912  0.493  1.0
  In  In7  1  0.912  0.772  0.993  1.0
  Si  Si8  1  0.542  0.006  0.248  1.0
  Si  Si9  1  0.006  0.542  0.748  1.0
  S  S10  1  0.261  0.770  0.005  1.0
  S  S11  1  0.770  0.261  0.505  1.0
  S  S12  1  0.666  0.124  0.879  1.0
  S  S13  1  0.124  0.666  0.379  1.0
  S  S14  1  0.715  0.203  0.193  1.0
  S  S15  1  0.203  0.715  0.693  1.0
  S  S16  1  0.719  0.691  0.198  1.0
  S  S17  1  0.691  0.719  0.698  1.0
  S  S18  1  0.251  0.204  0.173  1.0
  S  S19  1  0.204  0.251  0.673  1.0
  S  S20  1  0.440  0.961  0.432  1.0
  S  S21  1  0.961  0.440  0.932  1.0
[/CIF]
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The structure described by Li2In2SiS6 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form LiS4 trigonal pyramids that share corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and corners with three equivalent In(2)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(6) atom to form LiS4 tetrahedra that share corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, corners with three equivalent In(2)S4 tetrahedra, and corners with two equivalent Li(1)S4 trigonal pyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form InS4 tetrahedra that share corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Li(2)S4 tetrahedra, and corners with three equivalent Li(1)S4 trigonal pyramids. In the second In site, In(2) is bonded to one S(1), one S(2), one S(4), and one S(6) atom to form InS4 tetrahedra that share corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Li(2)S4 tetrahedra, and corners with three equivalent Li(1)S4 trigonal pyramids. Si(1) is bonded to one S(3), one S(4), one S(5), and one S(6) atom to form SiS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, and corners with two equivalent Li(1)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one In(1), and one In(2) atom to form corner-sharing SLi2In2 tetrahedra. In the second S site, S(2) is bonded to one Li(1), one Li(2), one In(1), and one In(2) atom to form distorted corner-sharing SLi2In2 tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(2), one In(1), and one Si(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one In(2), and one Si(1) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one In(1), and one Si(1) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one In(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Li2In2SiS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   12.237
_cell_angle_alpha   72.801
_cell_angle_beta   72.801
_cell_angle_gamma   60.421
_symmetry_Int_Tables_number   1
_cell_volume   501.739
_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
  Li  Li0  1  0.402  0.015  0.842  1.0
  Li  Li1  1  0.015  0.402  0.342  1.0
  Li  Li2  1  0.400  0.598  0.497  1.0
  Li  Li3  1  0.598  0.400  0.997  1.0
  In  In4  1  0.119  0.924  0.188  1.0
  In  In5  1  0.924  0.119  0.688  1.0
  In  In6  1  0.772  0.912  0.493  1.0
  In  In7  1  0.912  0.772  0.993  1.0
  Si  Si8  1  0.542  0.006  0.248  1.0
  Si  Si9  1  0.006  0.542  0.748  1.0
  S  S10  1  0.261  0.770  0.005  1.0
  S  S11  1  0.770  0.261  0.505  1.0
  S  S12  1  0.666  0.124  0.879  1.0
  S  S13  1  0.124  0.666  0.379  1.0
  S  S14  1  0.715  0.203  0.193  1.0
  S  S15  1  0.203  0.715  0.693  1.0
  S  S16  1  0.719  0.691  0.198  1.0
  S  S17  1  0.691  0.719  0.698  1.0
  S  S18  1  0.251  0.204  0.173  1.0
  S  S19  1  0.204  0.251  0.673  1.0
  S  S20  1  0.440  0.961  0.432  1.0
  S  S21  1  0.961  0.440  0.932  1.0
[/CIF]
.