The compound described by Li2NH crystallizes in the tetragonal P4_2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form edge-sharing LiN4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to four equivalent H(1) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent H(1) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent H(1) atoms. N(1) is bonded in a distorted single-bond geometry to one Li(3), one Li(4), two equivalent Li(1), and one H(1) atom. H(1) is bonded in a distorted single-bond geometry to one Li(3), one Li(4), two equivalent Li(2), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2HN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   4.910
_cell_length_c   5.350
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.973
_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  0.000  0.000  0.502  1.0
  Li  Li1  1  0.000  0.000  0.002  1.0
  Li  Li2  1  0.500  0.500  0.509  1.0
  Li  Li3  1  0.500  0.500  0.009  1.0
  Li  Li4  1  0.500  0.000  0.471  1.0
  Li  Li5  1  0.000  0.500  0.971  1.0
  Li  Li6  1  0.500  0.000  0.046  1.0
  Li  Li7  1  0.000  0.500  0.546  1.0
  H  H8  1  0.228  0.461  0.257  1.0
  H  H9  1  0.772  0.539  0.257  1.0
  H  H10  1  0.461  0.772  0.757  1.0
  H  H11  1  0.539  0.228  0.757  1.0
  N  N12  1  0.250  0.745  0.758  1.0
  N  N13  1  0.750  0.255  0.758  1.0
  N  N14  1  0.745  0.750  0.258  1.0
  N  N15  1  0.255  0.250  0.258  1.0
[/CIF]
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The compound described by Li2NH crystallizes in the tetragonal P4_2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form edge-sharing LiN4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to four equivalent H(1) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent H(1) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent H(1) atoms. N(1) is bonded in a distorted single-bond geometry to one Li(3), one Li(4), two equivalent Li(1), and one H(1) atom. H(1) is bonded in a distorted single-bond geometry to one Li(3), one Li(4), two equivalent Li(2), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2HN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.910
_cell_length_b   4.910
_cell_length_c   5.350
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.973
_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  0.000  0.000  0.502  1.0
  Li  Li1  1  0.000  0.000  0.002  1.0
  Li  Li2  1  0.500  0.500  0.509  1.0
  Li  Li3  1  0.500  0.500  0.009  1.0
  Li  Li4  1  0.500  0.000  0.471  1.0
  Li  Li5  1  0.000  0.500  0.971  1.0
  Li  Li6  1  0.500  0.000  0.046  1.0
  Li  Li7  1  0.000  0.500  0.546  1.0
  H  H8  1  0.228  0.461  0.257  1.0
  H  H9  1  0.772  0.539  0.257  1.0
  H  H10  1  0.461  0.772  0.757  1.0
  H  H11  1  0.539  0.228  0.757  1.0
  N  N12  1  0.250  0.745  0.758  1.0
  N  N13  1  0.750  0.255  0.758  1.0
  N  N14  1  0.745  0.750  0.258  1.0
  N  N15  1  0.255  0.250  0.258  1.0
[/CIF]
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