The material structure described by LiMn2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Mn(1)N4 tetrahedra. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form MnN4 tetrahedra that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Mn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the second N site, N(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form corner-sharing NLiMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.486
_cell_length_c   4.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.130
_symmetry_Int_Tables_number   1
_cell_volume   128.371
_cell_formula_units_Z   2
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  0.000  0.666  0.461  1.0
  Li  Li1  1  0.000  0.334  0.961  1.0
  Mn  Mn2  1  0.338  0.331  0.490  1.0
  Mn  Mn3  1  0.662  0.993  0.490  1.0
  Mn  Mn4  1  0.662  0.669  0.990  1.0
  Mn  Mn5  1  0.338  0.007  0.990  1.0
  N  N6  1  0.381  0.337  0.856  1.0
  N  N7  1  0.619  0.957  0.856  1.0
  N  N8  1  0.619  0.663  0.356  1.0
  N  N9  1  0.381  0.043  0.356  1.0
  N  N10  1  0.000  0.719  0.920  1.0
  N  N11  1  0.000  0.281  0.420  1.0
[/CIF]
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The material structure described by LiMn2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra and corners with ten equivalent Mn(1)N4 tetrahedra. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form MnN4 tetrahedra that share corners with five equivalent Li(1)N4 tetrahedra and corners with seven equivalent Mn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the second N site, N(1) is bonded to one Li(1) and three equivalent Mn(1) atoms to form corner-sharing NLiMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   5.486
_cell_length_c   4.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.130
_symmetry_Int_Tables_number   1
_cell_volume   128.371
_cell_formula_units_Z   2
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  0.000  0.666  0.461  1.0
  Li  Li1  1  0.000  0.334  0.961  1.0
  Mn  Mn2  1  0.338  0.331  0.490  1.0
  Mn  Mn3  1  0.662  0.993  0.490  1.0
  Mn  Mn4  1  0.662  0.669  0.990  1.0
  Mn  Mn5  1  0.338  0.007  0.990  1.0
  N  N6  1  0.381  0.337  0.856  1.0
  N  N7  1  0.619  0.957  0.856  1.0
  N  N8  1  0.619  0.663  0.356  1.0
  N  N9  1  0.381  0.043  0.356  1.0
  N  N10  1  0.000  0.719  0.920  1.0
  N  N11  1  0.000  0.281  0.420  1.0
[/CIF]
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