The material described by Li3MnN2 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 Mn(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Mn(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. Mn(1) is bonded to one N(1) and three equivalent N(2) atoms to form MnN4 tetrahedra that share corners with four equivalent Mn(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 body-centered cubic geometry to six equivalent Li(1) and two equivalent Mn(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 Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.223
_cell_length_b   9.495
_cell_length_c   9.495
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   428.016
_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  0.041  0.980  1.0
  Li  Li1  1  0.781  0.760  0.520  1.0
  Li  Li2  1  0.781  0.459  0.762  1.0
  Li  Li3  1  0.219  0.740  0.738  1.0
  Li  Li4  1  0.258  0.762  0.280  1.0
  Li  Li5  1  0.742  0.738  0.021  1.0
  Li  Li6  1  0.258  0.980  0.479  1.0
  Li  Li7  1  0.742  0.520  0.220  1.0
  Li  Li8  1  0.699  0.021  0.740  1.0
  Li  Li9  1  0.699  0.280  0.459  1.0
  Li  Li10  1  0.301  0.220  0.760  1.0
  Li  Li11  1  0.301  0.479  0.041  1.0
  Li  Li12  1  0.781  0.959  0.020  1.0
  Li  Li13  1  0.219  0.240  0.480  1.0
  Li  Li14  1  0.219  0.541  0.238  1.0
  Li  Li15  1  0.781  0.260  0.262  1.0
  Li  Li16  1  0.742  0.238  0.720  1.0
  Li  Li17  1  0.258  0.262  0.979  1.0
  Li  Li18  1  0.742  0.020  0.521  1.0
  Li  Li19  1  0.258  0.480  0.780  1.0
  Li  Li20  1  0.301  0.979  0.260  1.0
  Li  Li21  1  0.301  0.720  0.541  1.0
  Li  Li22  1  0.699  0.780  0.240  1.0
  Li  Li23  1  0.699  0.521  0.959  1.0
  Mn  Mn24  1  0.227  0.000  0.727  1.0
  Mn  Mn25  1  0.773  0.727  0.773  1.0
  Mn  Mn26  1  0.773  0.500  0.500  1.0
  Mn  Mn27  1  0.227  0.773  0.000  1.0
  Mn  Mn28  1  0.773  0.000  0.273  1.0
  Mn  Mn29  1  0.227  0.273  0.227  1.0
  Mn  Mn30  1  0.227  0.500  0.500  1.0
  Mn  Mn31  1  0.773  0.227  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  0.966  0.750  1.0
  N  N37  1  0.500  0.534  0.250  1.0
  N  N38  1  0.000  0.250  0.716  1.0
  N  N39  1  0.000  0.750  0.784  1.0
  N  N40  1  0.568  0.716  0.534  1.0
  N  N41  1  0.432  0.784  0.966  1.0
  N  N42  1  0.500  0.034  0.250  1.0
  N  N43  1  0.500  0.466  0.750  1.0
  N  N44  1  0.000  0.750  0.284  1.0
  N  N45  1  0.000  0.250  0.216  1.0
  N  N46  1  0.432  0.284  0.466  1.0
  N  N47  1  0.568  0.216  0.034  1.0
[/CIF]
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The material described by Li3MnN2 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 Mn(1)N4 tetrahedra, corners with twelve equivalent Li(1)N4 tetrahedra, edges with two equivalent Mn(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. Mn(1) is bonded to one N(1) and three equivalent N(2) atoms to form MnN4 tetrahedra that share corners with four equivalent Mn(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 body-centered cubic geometry to six equivalent Li(1) and two equivalent Mn(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 Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.223
_cell_length_b   9.495
_cell_length_c   9.495
_cell_angle_alpha   90.000
_cell_angle_beta   125.264
_cell_angle_gamma   54.736
_symmetry_Int_Tables_number   1
_cell_volume   428.016
_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  0.041  0.980  1.0
  Li  Li1  1  0.781  0.760  0.520  1.0
  Li  Li2  1  0.781  0.459  0.762  1.0
  Li  Li3  1  0.219  0.740  0.738  1.0
  Li  Li4  1  0.258  0.762  0.280  1.0
  Li  Li5  1  0.742  0.738  0.021  1.0
  Li  Li6  1  0.258  0.980  0.479  1.0
  Li  Li7  1  0.742  0.520  0.220  1.0
  Li  Li8  1  0.699  0.021  0.740  1.0
  Li  Li9  1  0.699  0.280  0.459  1.0
  Li  Li10  1  0.301  0.220  0.760  1.0
  Li  Li11  1  0.301  0.479  0.041  1.0
  Li  Li12  1  0.781  0.959  0.020  1.0
  Li  Li13  1  0.219  0.240  0.480  1.0
  Li  Li14  1  0.219  0.541  0.238  1.0
  Li  Li15  1  0.781  0.260  0.262  1.0
  Li  Li16  1  0.742  0.238  0.720  1.0
  Li  Li17  1  0.258  0.262  0.979  1.0
  Li  Li18  1  0.742  0.020  0.521  1.0
  Li  Li19  1  0.258  0.480  0.780  1.0
  Li  Li20  1  0.301  0.979  0.260  1.0
  Li  Li21  1  0.301  0.720  0.541  1.0
  Li  Li22  1  0.699  0.780  0.240  1.0
  Li  Li23  1  0.699  0.521  0.959  1.0
  Mn  Mn24  1  0.227  0.000  0.727  1.0
  Mn  Mn25  1  0.773  0.727  0.773  1.0
  Mn  Mn26  1  0.773  0.500  0.500  1.0
  Mn  Mn27  1  0.227  0.773  0.000  1.0
  Mn  Mn28  1  0.773  0.000  0.273  1.0
  Mn  Mn29  1  0.227  0.273  0.227  1.0
  Mn  Mn30  1  0.227  0.500  0.500  1.0
  Mn  Mn31  1  0.773  0.227  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  0.966  0.750  1.0
  N  N37  1  0.500  0.534  0.250  1.0
  N  N38  1  0.000  0.250  0.716  1.0
  N  N39  1  0.000  0.750  0.784  1.0
  N  N40  1  0.568  0.716  0.534  1.0
  N  N41  1  0.432  0.784  0.966  1.0
  N  N42  1  0.500  0.034  0.250  1.0
  N  N43  1  0.500  0.466  0.750  1.0
  N  N44  1  0.000  0.750  0.284  1.0
  N  N45  1  0.000  0.250  0.216  1.0
  N  N46  1  0.432  0.284  0.466  1.0
  N  N47  1  0.568  0.216  0.034  1.0
[/CIF]
.