The material structure described by LiSH crystallizes in the orthorhombic Pcca space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one S(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Li(1) and one H(1) atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids. In the second S site, S(2) is bonded to four equivalent Li(1) and one H(2) atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids. is represented by the CIF card [CIF]
data_LiHS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.957
_cell_length_b   7.916
_cell_length_c   12.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.280
_cell_formula_units_Z   8
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  0.500  0.003  0.875  1.0
  Li  Li1  1  0.500  0.997  0.125  1.0
  Li  Li2  1  0.500  0.997  0.375  1.0
  Li  Li3  1  0.500  0.503  0.875  1.0
  Li  Li4  1  0.500  0.497  0.375  1.0
  Li  Li5  1  0.500  0.003  0.625  1.0
  Li  Li6  1  0.500  0.497  0.125  1.0
  Li  Li7  1  0.500  0.503  0.625  1.0
  H  H8  1  0.145  0.250  0.000  1.0
  H  H9  1  0.145  0.750  0.500  1.0
  H  H10  1  0.855  0.750  0.000  1.0
  H  H11  1  0.855  0.250  0.500  1.0
  H  H12  1  0.000  0.824  0.750  1.0
  H  H13  1  0.000  0.176  0.250  1.0
  H  H14  1  0.000  0.324  0.750  1.0
  H  H15  1  0.000  0.676  0.250  1.0
  S  S16  1  0.487  0.250  0.000  1.0
  S  S17  1  0.513  0.250  0.500  1.0
  S  S18  1  0.513  0.750  0.000  1.0
  S  S19  1  0.487  0.750  0.500  1.0
  S  S20  1  0.000  0.994  0.750  1.0
  S  S21  1  0.000  0.006  0.250  1.0
  S  S22  1  0.000  0.494  0.750  1.0
  S  S23  1  0.000  0.506  0.250  1.0
[/CIF]
.
The material structure described by LiSH crystallizes in the orthorhombic Pcca space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one S(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Li(1) and one H(1) atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids. In the second S site, S(2) is bonded to four equivalent Li(1) and one H(2) atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids. is represented by the CIF card [CIF]
data_LiHS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.957
_cell_length_b   7.916
_cell_length_c   12.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.280
_cell_formula_units_Z   8
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  0.500  0.003  0.875  1.0
  Li  Li1  1  0.500  0.997  0.125  1.0
  Li  Li2  1  0.500  0.997  0.375  1.0
  Li  Li3  1  0.500  0.503  0.875  1.0
  Li  Li4  1  0.500  0.497  0.375  1.0
  Li  Li5  1  0.500  0.003  0.625  1.0
  Li  Li6  1  0.500  0.497  0.125  1.0
  Li  Li7  1  0.500  0.503  0.625  1.0
  H  H8  1  0.145  0.250  0.000  1.0
  H  H9  1  0.145  0.750  0.500  1.0
  H  H10  1  0.855  0.750  0.000  1.0
  H  H11  1  0.855  0.250  0.500  1.0
  H  H12  1  0.000  0.824  0.750  1.0
  H  H13  1  0.000  0.176  0.250  1.0
  H  H14  1  0.000  0.324  0.750  1.0
  H  H15  1  0.000  0.676  0.250  1.0
  S  S16  1  0.487  0.250  0.000  1.0
  S  S17  1  0.513  0.250  0.500  1.0
  S  S18  1  0.513  0.750  0.000  1.0
  S  S19  1  0.487  0.750  0.500  1.0
  S  S20  1  0.000  0.994  0.750  1.0
  S  S21  1  0.000  0.006  0.250  1.0
  S  S22  1  0.000  0.494  0.750  1.0
  S  S23  1  0.000  0.506  0.250  1.0
[/CIF]
.