The crystal structure described by LiSCN crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to three equivalent N(1) and three equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing LiS3N3 octahedra. The corner-sharing octahedral tilt angles are 54°. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded to three equivalent Li(1) and one C(1) atom to form distorted NLi3C tetrahedra that share corners with two equivalent N(1)Li3C tetrahedra, corners with eight equivalent S(1)Li3C tetrahedra,  an edgeedge with one S(1)Li3C tetrahedra, and edges with two equivalent N(1)Li3C tetrahedra. S(1) is bonded to three equivalent Li(1) and one C(1) atom to form SLi3C tetrahedra that share corners with six equivalent S(1)Li3C tetrahedra, corners with eight equivalent N(1)Li3C tetrahedra, and  an edgeedge with one N(1)Li3C tetrahedra. is represented by the CIF file [CIF]
data_LiCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   5.345
_cell_length_c   12.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.598
_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
  Li  Li0  1  0.250  0.439  0.901  1.0
  Li  Li1  1  0.250  0.061  0.401  1.0
  Li  Li2  1  0.750  0.561  0.099  1.0
  Li  Li3  1  0.750  0.939  0.599  1.0
  C  C4  1  0.250  0.390  0.609  1.0
  C  C5  1  0.250  0.110  0.109  1.0
  C  C6  1  0.750  0.610  0.391  1.0
  C  C7  1  0.750  0.890  0.891  1.0
  S  S8  1  0.250  0.638  0.686  1.0
  S  S9  1  0.250  0.862  0.186  1.0
  S  S10  1  0.750  0.362  0.314  1.0
  S  S11  1  0.750  0.138  0.814  1.0
  N  N12  1  0.250  0.206  0.555  1.0
  N  N13  1  0.250  0.294  0.055  1.0
  N  N14  1  0.750  0.794  0.445  1.0
  N  N15  1  0.750  0.706  0.945  1.0
[/CIF]
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The crystal structure described by LiSCN crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to three equivalent N(1) and three equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing LiS3N3 octahedra. The corner-sharing octahedral tilt angles are 54°. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded to three equivalent Li(1) and one C(1) atom to form distorted NLi3C tetrahedra that share corners with two equivalent N(1)Li3C tetrahedra, corners with eight equivalent S(1)Li3C tetrahedra,  an edgeedge with one S(1)Li3C tetrahedra, and edges with two equivalent N(1)Li3C tetrahedra. S(1) is bonded to three equivalent Li(1) and one C(1) atom to form SLi3C tetrahedra that share corners with six equivalent S(1)Li3C tetrahedra, corners with eight equivalent N(1)Li3C tetrahedra, and  an edgeedge with one N(1)Li3C tetrahedra. is represented by the CIF file [CIF]
data_LiCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   5.345
_cell_length_c   12.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.598
_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
  Li  Li0  1  0.250  0.439  0.901  1.0
  Li  Li1  1  0.250  0.061  0.401  1.0
  Li  Li2  1  0.750  0.561  0.099  1.0
  Li  Li3  1  0.750  0.939  0.599  1.0
  C  C4  1  0.250  0.390  0.609  1.0
  C  C5  1  0.250  0.110  0.109  1.0
  C  C6  1  0.750  0.610  0.391  1.0
  C  C7  1  0.750  0.890  0.891  1.0
  S  S8  1  0.250  0.638  0.686  1.0
  S  S9  1  0.250  0.862  0.186  1.0
  S  S10  1  0.750  0.362  0.314  1.0
  S  S11  1  0.750  0.138  0.814  1.0
  N  N12  1  0.250  0.206  0.555  1.0
  N  N13  1  0.250  0.294  0.055  1.0
  N  N14  1  0.750  0.794  0.445  1.0
  N  N15  1  0.750  0.706  0.945  1.0
[/CIF]
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