The material structure described by Li9S3N crystallizes in the cubic Pm-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent S(1) atoms. In the second Li site, Li(2) is bonded to six equivalent S(1) atoms to form distorted corner-sharing LiS6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a body-centered cubic geometry to eight equivalent Li(1) atoms. S(1) is bonded in a distorted q6 geometry to two equivalent Li(2) and eight equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li9S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   5.456
_cell_length_c   5.456
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.394
_cell_formula_units_Z   1
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  0.783  0.217  0.783  1.0
  Li  Li1  1  0.217  0.217  0.217  1.0
  Li  Li2  1  0.783  0.783  0.783  1.0
  Li  Li3  1  0.217  0.783  0.217  1.0
  Li  Li4  1  0.783  0.217  0.217  1.0
  Li  Li5  1  0.783  0.783  0.217  1.0
  Li  Li6  1  0.500  0.500  0.500  1.0
  Li  Li7  1  0.217  0.783  0.783  1.0
  Li  Li8  1  0.217  0.217  0.783  1.0
  S  S9  1  0.500  0.500  0.000  1.0
  S  S10  1  0.000  0.500  0.500  1.0
  S  S11  1  0.500  0.000  0.500  1.0
  N  N12  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Li9S3N crystallizes in the cubic Pm-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one N(1) and three equivalent S(1) atoms. In the second Li site, Li(2) is bonded to six equivalent S(1) atoms to form distorted corner-sharing LiS6 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a body-centered cubic geometry to eight equivalent Li(1) atoms. S(1) is bonded in a distorted q6 geometry to two equivalent Li(2) and eight equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li9S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.456
_cell_length_b   5.456
_cell_length_c   5.456
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.394
_cell_formula_units_Z   1
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  0.783  0.217  0.783  1.0
  Li  Li1  1  0.217  0.217  0.217  1.0
  Li  Li2  1  0.783  0.783  0.783  1.0
  Li  Li3  1  0.217  0.783  0.217  1.0
  Li  Li4  1  0.783  0.217  0.217  1.0
  Li  Li5  1  0.783  0.783  0.217  1.0
  Li  Li6  1  0.500  0.500  0.500  1.0
  Li  Li7  1  0.217  0.783  0.783  1.0
  Li  Li8  1  0.217  0.217  0.783  1.0
  S  S9  1  0.500  0.500  0.000  1.0
  S  S10  1  0.000  0.500  0.500  1.0
  S  S11  1  0.500  0.000  0.500  1.0
  N  N12  1  0.000  0.000  0.000  1.0
[/CIF]
.