The material described by Li3CN2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent C(1), two equivalent N(1), and two equivalent N(2) atoms. In the third Li site, Li(3) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted corner-sharing LiN4 tetrahedra. C(1) is bonded in a 2-coordinate geometry to two equivalent Li(2), one N(1), and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and one C(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and one C(1) atom. is represented by the CIF card [CIF]
data_Li3CN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   6.827
_cell_length_c   6.857
_cell_angle_alpha   90.000
_cell_angle_beta   112.241
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.458
_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  0.253  0.026  0.997  1.0
  Li  Li1  1  0.747  0.526  0.503  1.0
  Li  Li2  1  0.747  0.974  0.003  1.0
  Li  Li3  1  0.253  0.474  0.497  1.0
  Li  Li4  1  0.252  0.485  0.872  1.0
  Li  Li5  1  0.748  0.985  0.628  1.0
  Li  Li6  1  0.748  0.515  0.128  1.0
  Li  Li7  1  0.252  0.015  0.372  1.0
  Li  Li8  1  0.754  0.303  0.823  1.0
  Li  Li9  1  0.246  0.803  0.677  1.0
  Li  Li10  1  0.246  0.697  0.177  1.0
  Li  Li11  1  0.754  0.197  0.323  1.0
  C  C12  1  0.160  0.138  0.632  1.0
  C  C13  1  0.840  0.638  0.868  1.0
  C  C14  1  0.840  0.862  0.368  1.0
  C  C15  1  0.160  0.362  0.132  1.0
  N  N16  1  0.426  0.076  0.721  1.0
  N  N17  1  0.574  0.576  0.779  1.0
  N  N18  1  0.574  0.924  0.279  1.0
  N  N19  1  0.426  0.424  0.221  1.0
  N  N20  1  0.001  0.290  0.629  1.0
  N  N21  1  0.999  0.790  0.871  1.0
  N  N22  1  0.999  0.710  0.371  1.0
  N  N23  1  0.001  0.210  0.129  1.0
[/CIF]
.
The material described by Li3CN2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent C(1), two equivalent N(1), and two equivalent N(2) atoms. In the third Li site, Li(3) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted corner-sharing LiN4 tetrahedra. C(1) is bonded in a 2-coordinate geometry to two equivalent Li(2), one N(1), and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and one C(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and one C(1) atom. is represented by the CIF card [CIF]
data_Li3CN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.041
_cell_length_b   6.827
_cell_length_c   6.857
_cell_angle_alpha   90.000
_cell_angle_beta   112.241
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   218.458
_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  0.253  0.026  0.997  1.0
  Li  Li1  1  0.747  0.526  0.503  1.0
  Li  Li2  1  0.747  0.974  0.003  1.0
  Li  Li3  1  0.253  0.474  0.497  1.0
  Li  Li4  1  0.252  0.485  0.872  1.0
  Li  Li5  1  0.748  0.985  0.628  1.0
  Li  Li6  1  0.748  0.515  0.128  1.0
  Li  Li7  1  0.252  0.015  0.372  1.0
  Li  Li8  1  0.754  0.303  0.823  1.0
  Li  Li9  1  0.246  0.803  0.677  1.0
  Li  Li10  1  0.246  0.697  0.177  1.0
  Li  Li11  1  0.754  0.197  0.323  1.0
  C  C12  1  0.160  0.138  0.632  1.0
  C  C13  1  0.840  0.638  0.868  1.0
  C  C14  1  0.840  0.862  0.368  1.0
  C  C15  1  0.160  0.362  0.132  1.0
  N  N16  1  0.426  0.076  0.721  1.0
  N  N17  1  0.574  0.576  0.779  1.0
  N  N18  1  0.574  0.924  0.279  1.0
  N  N19  1  0.426  0.424  0.221  1.0
  N  N20  1  0.001  0.290  0.629  1.0
  N  N21  1  0.999  0.790  0.871  1.0
  N  N22  1  0.999  0.710  0.371  1.0
  N  N23  1  0.001  0.210  0.129  1.0
[/CIF]
.