The material structure described by LiN3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to six equivalent N(1) atoms to form edge-sharing LiN6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one N(2) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. is represented by the CIF card [CIF]
data_LiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.200
_cell_length_b   3.200
_cell_length_c   4.840
_cell_angle_alpha   77.327
_cell_angle_beta   77.327
_cell_angle_gamma   61.425
_symmetry_Int_Tables_number   1
_cell_volume   42.088
_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  0.000  0.000  0.000  1.0
  N  N1  1  0.615  0.615  0.259  1.0
  N  N2  1  0.385  0.385  0.741  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by LiN3 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to six equivalent N(1) atoms to form edge-sharing LiN6 octahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one N(2) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. is represented by the CIF card [CIF]
data_LiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.200
_cell_length_b   3.200
_cell_length_c   4.840
_cell_angle_alpha   77.327
_cell_angle_beta   77.327
_cell_angle_gamma   61.425
_symmetry_Int_Tables_number   1
_cell_volume   42.088
_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  0.000  0.000  0.000  1.0
  N  N1  1  0.615  0.615  0.259  1.0
  N  N2  1  0.385  0.385  0.741  1.0
  N  N3  1  0.500  0.500  0.500  1.0
[/CIF]
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