The material structure described by Li2MnN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. In the second Li site, Li(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form LiN4 trigonal pyramids that share corners with two equivalent Mn(1)N6 octahedra, corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(1)N6 octahedra, edges with two equivalent Mn(2)N4 tetrahedra, and  an edgeedge with one Li(2)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 12-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted MnN6 octahedra that share corners with four equivalent Li(2)N4 trigonal pyramids, edges with four equivalent Mn(2)N4 tetrahedra, and edges with two equivalent Li(2)N4 trigonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Li(2)N4 trigonal pyramids, edges with two equivalent Mn(1)N6 octahedra,  an edgeedge with one Mn(2)N4 tetrahedra, and edges with two equivalent Li(2)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Li(2), three equivalent Li(1), one Mn(1), and one Mn(2) atom. In the second N site, N(2) is bonded to two equivalent Li(1), two equivalent Li(2), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing NLi4Mn3 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Li2MnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.460
_cell_length_b   11.817
_cell_length_c   4.931
_cell_angle_alpha   90.000
_cell_angle_beta   87.162
_cell_angle_gamma   23.849
_symmetry_Int_Tables_number   1
_cell_volume   151.041
_cell_formula_units_Z   3
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  0.682  0.975  0.813  1.0
  Li  Li1  1  0.682  0.344  0.813  1.0
  Li  Li2  1  0.318  0.025  0.187  1.0
  Li  Li3  1  0.318  0.656  0.187  1.0
  Li  Li4  1  0.186  0.907  0.720  1.0
  Li  Li5  1  0.814  0.093  0.280  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.000  0.406  0.500  1.0
  Mn  Mn8  1  0.000  0.594  0.500  1.0
  N  N9  1  0.615  0.835  0.794  1.0
  N  N10  1  0.615  0.550  0.794  1.0
  N  N11  1  0.385  0.165  0.206  1.0
  N  N12  1  0.385  0.450  0.206  1.0
  N  N13  1  0.534  0.733  0.337  1.0
  N  N14  1  0.466  0.267  0.663  1.0
[/CIF]
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The material structure described by Li2MnN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one N(2) and three equivalent N(1) atoms. In the second Li site, Li(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form LiN4 trigonal pyramids that share corners with two equivalent Mn(1)N6 octahedra, corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(1)N6 octahedra, edges with two equivalent Mn(2)N4 tetrahedra, and  an edgeedge with one Li(2)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 12-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted MnN6 octahedra that share corners with four equivalent Li(2)N4 trigonal pyramids, edges with four equivalent Mn(2)N4 tetrahedra, and edges with two equivalent Li(2)N4 trigonal pyramids. In the second Mn site, Mn(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Li(2)N4 trigonal pyramids, edges with two equivalent Mn(1)N6 octahedra,  an edgeedge with one Mn(2)N4 tetrahedra, and edges with two equivalent Li(2)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Li(2), three equivalent Li(1), one Mn(1), and one Mn(2) atom. In the second N site, N(2) is bonded to two equivalent Li(1), two equivalent Li(2), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted edge and corner-sharing NLi4Mn3 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Li2MnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.460
_cell_length_b   11.817
_cell_length_c   4.931
_cell_angle_alpha   90.000
_cell_angle_beta   87.162
_cell_angle_gamma   23.849
_symmetry_Int_Tables_number   1
_cell_volume   151.041
_cell_formula_units_Z   3
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  0.682  0.975  0.813  1.0
  Li  Li1  1  0.682  0.344  0.813  1.0
  Li  Li2  1  0.318  0.025  0.187  1.0
  Li  Li3  1  0.318  0.656  0.187  1.0
  Li  Li4  1  0.186  0.907  0.720  1.0
  Li  Li5  1  0.814  0.093  0.280  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.000  0.406  0.500  1.0
  Mn  Mn8  1  0.000  0.594  0.500  1.0
  N  N9  1  0.615  0.835  0.794  1.0
  N  N10  1  0.615  0.550  0.794  1.0
  N  N11  1  0.385  0.165  0.206  1.0
  N  N12  1  0.385  0.450  0.206  1.0
  N  N13  1  0.534  0.733  0.337  1.0
  N  N14  1  0.466  0.267  0.663  1.0
[/CIF]
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