The structure described by LiNbN2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form LiN5 trigonal bipyramids that share corners with four equivalent Li(1)N5 trigonal bipyramids, corners with four equivalent Nb(1)N5 trigonal bipyramids, edges with two equivalent Li(1)N5 trigonal bipyramids, and edges with four equivalent Nb(1)N5 trigonal bipyramids. Nb(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form NbN5 trigonal bipyramids that share corners with four equivalent Li(1)N5 trigonal bipyramids, corners with four equivalent Nb(1)N5 trigonal bipyramids, edges with two equivalent Nb(1)N5 trigonal bipyramids, and edges with four equivalent Li(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Li(1) and two equivalent Nb(1) atoms to form NLi3Nb2 trigonal bipyramids that share corners with four equivalent N(2)Li2Nb3 trigonal bipyramids, corners with four equivalent N(1)Li3Nb2 trigonal bipyramids, edges with two equivalent N(1)Li3Nb2 trigonal bipyramids, and edges with four equivalent N(2)Li2Nb3 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Li(1) and three equivalent Nb(1) atoms to form NLi2Nb3 trigonal bipyramids that share corners with four equivalent N(2)Li2Nb3 trigonal bipyramids, corners with four equivalent N(1)Li3Nb2 trigonal bipyramids, edges with two equivalent N(2)Li2Nb3 trigonal bipyramids, and edges with four equivalent N(1)Li3Nb2 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiNbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   7.363
_cell_length_c   4.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.652
_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  0.577  0.392  0.943  1.0
  Li  Li1  1  0.423  0.608  0.443  1.0
  Li  Li2  1  0.923  0.892  0.443  1.0
  Li  Li3  1  0.077  0.108  0.943  1.0
  Nb  Nb4  1  0.582  0.866  0.942  1.0
  Nb  Nb5  1  0.418  0.134  0.442  1.0
  Nb  Nb6  1  0.918  0.366  0.442  1.0
  Nb  Nb7  1  0.082  0.634  0.942  1.0
  N  N8  1  0.590  0.355  0.443  1.0
  N  N9  1  0.410  0.645  0.943  1.0
  N  N10  1  0.910  0.855  0.943  1.0
  N  N11  1  0.090  0.145  0.443  1.0
  N  N12  1  0.580  0.897  0.443  1.0
  N  N13  1  0.420  0.103  0.943  1.0
  N  N14  1  0.920  0.397  0.943  1.0
  N  N15  1  0.080  0.603  0.443  1.0
[/CIF]
.
The structure described by LiNbN2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form LiN5 trigonal bipyramids that share corners with four equivalent Li(1)N5 trigonal bipyramids, corners with four equivalent Nb(1)N5 trigonal bipyramids, edges with two equivalent Li(1)N5 trigonal bipyramids, and edges with four equivalent Nb(1)N5 trigonal bipyramids. Nb(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form NbN5 trigonal bipyramids that share corners with four equivalent Li(1)N5 trigonal bipyramids, corners with four equivalent Nb(1)N5 trigonal bipyramids, edges with two equivalent Nb(1)N5 trigonal bipyramids, and edges with four equivalent Li(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Li(1) and two equivalent Nb(1) atoms to form NLi3Nb2 trigonal bipyramids that share corners with four equivalent N(2)Li2Nb3 trigonal bipyramids, corners with four equivalent N(1)Li3Nb2 trigonal bipyramids, edges with two equivalent N(1)Li3Nb2 trigonal bipyramids, and edges with four equivalent N(2)Li2Nb3 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Li(1) and three equivalent Nb(1) atoms to form NLi2Nb3 trigonal bipyramids that share corners with four equivalent N(2)Li2Nb3 trigonal bipyramids, corners with four equivalent N(1)Li3Nb2 trigonal bipyramids, edges with two equivalent N(2)Li2Nb3 trigonal bipyramids, and edges with four equivalent N(1)Li3Nb2 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiNbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.134
_cell_length_b   7.363
_cell_length_c   4.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.652
_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  0.577  0.392  0.943  1.0
  Li  Li1  1  0.423  0.608  0.443  1.0
  Li  Li2  1  0.923  0.892  0.443  1.0
  Li  Li3  1  0.077  0.108  0.943  1.0
  Nb  Nb4  1  0.582  0.866  0.942  1.0
  Nb  Nb5  1  0.418  0.134  0.442  1.0
  Nb  Nb6  1  0.918  0.366  0.442  1.0
  Nb  Nb7  1  0.082  0.634  0.942  1.0
  N  N8  1  0.590  0.355  0.443  1.0
  N  N9  1  0.410  0.645  0.943  1.0
  N  N10  1  0.910  0.855  0.943  1.0
  N  N11  1  0.090  0.145  0.443  1.0
  N  N12  1  0.580  0.897  0.443  1.0
  N  N13  1  0.420  0.103  0.943  1.0
  N  N14  1  0.920  0.397  0.943  1.0
  N  N15  1  0.080  0.603  0.443  1.0
[/CIF]
.