The material structure described by Li2NH crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to three equivalent N(1) and two equivalent H(1) atoms. N(1) is bonded in a distorted single-bond geometry to three equivalent Li(2), four equivalent Li(1), and one H(1) atom. H(1) is bonded in a single-bond geometry to two equivalent Li(2) and one N(1) atom. is represented by the CIF card [CIF]
data_Li2HN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.600
_cell_length_b   4.917
_cell_length_c   7.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.795
_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  0.036  0.602  1.0
  Li  Li1  1  0.250  0.464  0.102  1.0
  Li  Li2  1  0.750  0.964  0.398  1.0
  Li  Li3  1  0.750  0.536  0.898  1.0
  Li  Li4  1  0.250  0.590  0.702  1.0
  Li  Li5  1  0.250  0.910  0.202  1.0
  Li  Li6  1  0.750  0.410  0.298  1.0
  Li  Li7  1  0.750  0.090  0.798  1.0
  H  H8  1  0.250  0.107  0.922  1.0
  H  H9  1  0.250  0.393  0.422  1.0
  H  H10  1  0.750  0.893  0.078  1.0
  H  H11  1  0.750  0.607  0.578  1.0
  N  N12  1  0.250  0.286  0.852  1.0
  N  N13  1  0.250  0.214  0.352  1.0
  N  N14  1  0.750  0.714  0.148  1.0
  N  N15  1  0.750  0.786  0.648  1.0
[/CIF]
.
The material structure described by Li2NH crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to three equivalent N(1) and two equivalent H(1) atoms. N(1) is bonded in a distorted single-bond geometry to three equivalent Li(2), four equivalent Li(1), and one H(1) atom. H(1) is bonded in a single-bond geometry to two equivalent Li(2) and one N(1) atom. is represented by the CIF card [CIF]
data_Li2HN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.600
_cell_length_b   4.917
_cell_length_c   7.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.795
_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  0.036  0.602  1.0
  Li  Li1  1  0.250  0.464  0.102  1.0
  Li  Li2  1  0.750  0.964  0.398  1.0
  Li  Li3  1  0.750  0.536  0.898  1.0
  Li  Li4  1  0.250  0.590  0.702  1.0
  Li  Li5  1  0.250  0.910  0.202  1.0
  Li  Li6  1  0.750  0.410  0.298  1.0
  Li  Li7  1  0.750  0.090  0.798  1.0
  H  H8  1  0.250  0.107  0.922  1.0
  H  H9  1  0.250  0.393  0.422  1.0
  H  H10  1  0.750  0.893  0.078  1.0
  H  H11  1  0.750  0.607  0.578  1.0
  N  N12  1  0.250  0.286  0.852  1.0
  N  N13  1  0.250  0.214  0.352  1.0
  N  N14  1  0.750  0.714  0.148  1.0
  N  N15  1  0.750  0.786  0.648  1.0
[/CIF]
.