The compound described by Li3TiN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Ti(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. Ti(1) is bonded to one N(1) and three equivalent N(2) atoms to form TiN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, and edges with six equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a hexagonal bipyramidal geometry to six equivalent Li(1) and two equivalent Ti(1) atoms. In the second N site, N(2) is bonded in a distorted body-centered cubic geometry to six equivalent Li(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Li3TiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.446
_cell_length_b   9.752
_cell_length_c   9.752
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   463.781
_cell_formula_units_Z   8
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  0.219  0.046  0.994  1.0
  Li  Li1  1  0.781  0.765  0.506  1.0
  Li  Li2  1  0.781  0.454  0.775  1.0
  Li  Li3  1  0.219  0.735  0.725  1.0
  Li  Li4  1  0.231  0.775  0.272  1.0
  Li  Li5  1  0.769  0.725  0.040  1.0
  Li  Li6  1  0.231  0.994  0.460  1.0
  Li  Li7  1  0.769  0.506  0.228  1.0
  Li  Li8  1  0.688  0.040  0.735  1.0
  Li  Li9  1  0.688  0.272  0.454  1.0
  Li  Li10  1  0.312  0.228  0.765  1.0
  Li  Li11  1  0.312  0.460  0.046  1.0
  Li  Li12  1  0.781  0.954  0.006  1.0
  Li  Li13  1  0.219  0.235  0.494  1.0
  Li  Li14  1  0.219  0.546  0.225  1.0
  Li  Li15  1  0.781  0.265  0.275  1.0
  Li  Li16  1  0.769  0.225  0.728  1.0
  Li  Li17  1  0.231  0.275  0.960  1.0
  Li  Li18  1  0.769  0.006  0.540  1.0
  Li  Li19  1  0.231  0.494  0.772  1.0
  Li  Li20  1  0.312  0.960  0.265  1.0
  Li  Li21  1  0.312  0.728  0.546  1.0
  Li  Li22  1  0.688  0.772  0.235  1.0
  Li  Li23  1  0.688  0.540  0.954  1.0
  Ti  Ti24  1  0.235  0.000  0.735  1.0
  Ti  Ti25  1  0.765  0.735  0.765  1.0
  Ti  Ti26  1  0.765  0.500  0.500  1.0
  Ti  Ti27  1  0.235  0.765  0.000  1.0
  Ti  Ti28  1  0.765  0.000  0.265  1.0
  Ti  Ti29  1  0.235  0.265  0.235  1.0
  Ti  Ti30  1  0.235  0.500  0.500  1.0
  Ti  Ti31  1  0.765  0.235  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.976  0.750  1.0
  N  N37  1  0.500  0.524  0.250  1.0
  N  N38  1  0.000  0.250  0.726  1.0
  N  N39  1  0.000  0.750  0.774  1.0
  N  N40  1  0.548  0.726  0.524  1.0
  N  N41  1  0.452  0.774  0.976  1.0
  N  N42  1  0.500  0.024  0.250  1.0
  N  N43  1  0.500  0.476  0.750  1.0
  N  N44  1  0.000  0.750  0.274  1.0
  N  N45  1  0.000  0.250  0.226  1.0
  N  N46  1  0.452  0.274  0.476  1.0
  N  N47  1  0.548  0.226  0.024  1.0
[/CIF]
.
The compound described by Li3TiN2 crystallizes in the cubic Ia-3 space group. Li(1) is bonded to one N(1) and three equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Ti(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. Ti(1) is bonded to one N(1) and three equivalent N(2) atoms to form TiN4 tetrahedra that share corners with four equivalent Ti(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, and edges with six equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a hexagonal bipyramidal geometry to six equivalent Li(1) and two equivalent Ti(1) atoms. In the second N site, N(2) is bonded in a distorted body-centered cubic geometry to six equivalent Li(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Li3TiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.446
_cell_length_b   9.752
_cell_length_c   9.752
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   463.781
_cell_formula_units_Z   8
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  0.219  0.046  0.994  1.0
  Li  Li1  1  0.781  0.765  0.506  1.0
  Li  Li2  1  0.781  0.454  0.775  1.0
  Li  Li3  1  0.219  0.735  0.725  1.0
  Li  Li4  1  0.231  0.775  0.272  1.0
  Li  Li5  1  0.769  0.725  0.040  1.0
  Li  Li6  1  0.231  0.994  0.460  1.0
  Li  Li7  1  0.769  0.506  0.228  1.0
  Li  Li8  1  0.688  0.040  0.735  1.0
  Li  Li9  1  0.688  0.272  0.454  1.0
  Li  Li10  1  0.312  0.228  0.765  1.0
  Li  Li11  1  0.312  0.460  0.046  1.0
  Li  Li12  1  0.781  0.954  0.006  1.0
  Li  Li13  1  0.219  0.235  0.494  1.0
  Li  Li14  1  0.219  0.546  0.225  1.0
  Li  Li15  1  0.781  0.265  0.275  1.0
  Li  Li16  1  0.769  0.225  0.728  1.0
  Li  Li17  1  0.231  0.275  0.960  1.0
  Li  Li18  1  0.769  0.006  0.540  1.0
  Li  Li19  1  0.231  0.494  0.772  1.0
  Li  Li20  1  0.312  0.960  0.265  1.0
  Li  Li21  1  0.312  0.728  0.546  1.0
  Li  Li22  1  0.688  0.772  0.235  1.0
  Li  Li23  1  0.688  0.540  0.954  1.0
  Ti  Ti24  1  0.235  0.000  0.735  1.0
  Ti  Ti25  1  0.765  0.735  0.765  1.0
  Ti  Ti26  1  0.765  0.500  0.500  1.0
  Ti  Ti27  1  0.235  0.765  0.000  1.0
  Ti  Ti28  1  0.765  0.000  0.265  1.0
  Ti  Ti29  1  0.235  0.265  0.235  1.0
  Ti  Ti30  1  0.235  0.500  0.500  1.0
  Ti  Ti31  1  0.765  0.235  0.000  1.0
  N  N32  1  0.000  0.000  0.500  1.0
  N  N33  1  0.000  0.500  0.000  1.0
  N  N34  1  0.000  0.500  0.500  1.0
  N  N35  1  0.000  0.000  0.000  1.0
  N  N36  1  0.500  0.976  0.750  1.0
  N  N37  1  0.500  0.524  0.250  1.0
  N  N38  1  0.000  0.250  0.726  1.0
  N  N39  1  0.000  0.750  0.774  1.0
  N  N40  1  0.548  0.726  0.524  1.0
  N  N41  1  0.452  0.774  0.976  1.0
  N  N42  1  0.500  0.024  0.250  1.0
  N  N43  1  0.500  0.476  0.750  1.0
  N  N44  1  0.000  0.750  0.274  1.0
  N  N45  1  0.000  0.250  0.226  1.0
  N  N46  1  0.452  0.274  0.476  1.0
  N  N47  1  0.548  0.226  0.024  1.0
[/CIF]
.