The material described by LiC2N3 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing LiN6 octahedra. In the second Li site, Li(2) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form edge-sharing LiN4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one N(2) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one C(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Li(1), one C(1), and one C(2) atom. In the third N site, N(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one C(2) atom. is represented by the CIF file [CIF]
data_LiC2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.316
_cell_length_b   5.370
_cell_length_c   11.944
_cell_angle_alpha   78.655
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.298
_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  0.500  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.413  0.000  0.250  1.0
  Li  Li3  1  0.587  0.000  0.750  1.0
  C  C4  1  0.298  0.456  0.610  1.0
  C  C5  1  0.298  0.544  0.890  1.0
  C  C6  1  0.702  0.544  0.390  1.0
  C  C7  1  0.702  0.456  0.110  1.0
  C  C8  1  0.003  0.759  0.117  1.0
  C  C9  1  0.003  0.241  0.383  1.0
  C  C10  1  0.997  0.241  0.883  1.0
  C  C11  1  0.997  0.759  0.617  1.0
  N  N12  1  0.611  0.749  0.376  1.0
  N  N13  1  0.611  0.251  0.124  1.0
  N  N14  1  0.389  0.251  0.624  1.0
  N  N15  1  0.389  0.749  0.876  1.0
  N  N16  1  0.219  0.689  0.589  1.0
  N  N17  1  0.219  0.311  0.911  1.0
  N  N18  1  0.781  0.311  0.411  1.0
  N  N19  1  0.781  0.689  0.089  1.0
  N  N20  1  0.199  0.843  0.137  1.0
  N  N21  1  0.199  0.157  0.363  1.0
  N  N22  1  0.801  0.157  0.863  1.0
  N  N23  1  0.801  0.843  0.637  1.0
[/CIF]
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The material described by LiC2N3 crystallizes in the monoclinic P2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form edge-sharing LiN6 octahedra. In the second Li site, Li(2) is bonded to two equivalent N(1) and two equivalent N(3) atoms to form edge-sharing LiN4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one N(2) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one C(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Li(1), one C(1), and one C(2) atom. In the third N site, N(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one C(2) atom. is represented by the CIF file [CIF]
data_LiC2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.316
_cell_length_b   5.370
_cell_length_c   11.944
_cell_angle_alpha   78.655
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.298
_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  0.500  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.413  0.000  0.250  1.0
  Li  Li3  1  0.587  0.000  0.750  1.0
  C  C4  1  0.298  0.456  0.610  1.0
  C  C5  1  0.298  0.544  0.890  1.0
  C  C6  1  0.702  0.544  0.390  1.0
  C  C7  1  0.702  0.456  0.110  1.0
  C  C8  1  0.003  0.759  0.117  1.0
  C  C9  1  0.003  0.241  0.383  1.0
  C  C10  1  0.997  0.241  0.883  1.0
  C  C11  1  0.997  0.759  0.617  1.0
  N  N12  1  0.611  0.749  0.376  1.0
  N  N13  1  0.611  0.251  0.124  1.0
  N  N14  1  0.389  0.251  0.624  1.0
  N  N15  1  0.389  0.749  0.876  1.0
  N  N16  1  0.219  0.689  0.589  1.0
  N  N17  1  0.219  0.311  0.911  1.0
  N  N18  1  0.781  0.311  0.411  1.0
  N  N19  1  0.781  0.689  0.089  1.0
  N  N20  1  0.199  0.843  0.137  1.0
  N  N21  1  0.199  0.157  0.363  1.0
  N  N22  1  0.801  0.157  0.863  1.0
  N  N23  1  0.801  0.843  0.637  1.0
[/CIF]
.