The crystal structure described by Li7Mn2N3 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent N(1) atoms. Mn(1) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Li(2) and six equivalent Li(1) atoms to form NLi8 hexagonal bipyramids that share corners with two equivalent N(1)Li8 hexagonal bipyramids and edges with six equivalent N(2)Li6Mn2 hexagonal bipyramids. In the second N site, N(2) is bonded to six equivalent Li(1) and two equivalent Mn(1) atoms to form NLi6Mn2 hexagonal bipyramids that share corners with two equivalent N(2)Li6Mn2 hexagonal bipyramids, edges with three equivalent N(2)Li6Mn2 hexagonal bipyramids, and edges with three equivalent N(1)Li8 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Li7Mn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.853
_cell_length_b   6.363
_cell_length_c   6.362
_cell_angle_alpha   59.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.080
_cell_formula_units_Z   1
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  0.328  1.000  1.0
  Li  Li1  1  0.000  0.672  0.328  1.0
  Li  Li2  1  0.000  1.000  0.672  1.0
  Li  Li3  1  0.000  0.328  0.672  1.0
  Li  Li4  1  0.000  0.672  1.000  1.0
  Li  Li5  1  0.000  0.000  0.328  1.0
  Li  Li6  1  0.500  0.000  1.000  1.0
  Mn  Mn7  1  0.500  0.333  0.333  1.0
  Mn  Mn8  1  0.500  0.667  0.667  1.0
  N  N9  1  0.000  1.000  0.000  1.0
  N  N10  1  0.000  0.333  0.333  1.0
  N  N11  1  0.000  0.667  0.667  1.0
[/CIF]
.
The crystal structure described by Li7Mn2N3 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent N(1) atoms. Mn(1) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Li(2) and six equivalent Li(1) atoms to form NLi8 hexagonal bipyramids that share corners with two equivalent N(1)Li8 hexagonal bipyramids and edges with six equivalent N(2)Li6Mn2 hexagonal bipyramids. In the second N site, N(2) is bonded to six equivalent Li(1) and two equivalent Mn(1) atoms to form NLi6Mn2 hexagonal bipyramids that share corners with two equivalent N(2)Li6Mn2 hexagonal bipyramids, edges with three equivalent N(2)Li6Mn2 hexagonal bipyramids, and edges with three equivalent N(1)Li8 hexagonal bipyramids. is represented by the CIF file [CIF]
data_Li7Mn2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.853
_cell_length_b   6.363
_cell_length_c   6.362
_cell_angle_alpha   59.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.080
_cell_formula_units_Z   1
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  0.328  1.000  1.0
  Li  Li1  1  0.000  0.672  0.328  1.0
  Li  Li2  1  0.000  1.000  0.672  1.0
  Li  Li3  1  0.000  0.328  0.672  1.0
  Li  Li4  1  0.000  0.672  1.000  1.0
  Li  Li5  1  0.000  0.000  0.328  1.0
  Li  Li6  1  0.500  0.000  1.000  1.0
  Mn  Mn7  1  0.500  0.333  0.333  1.0
  Mn  Mn8  1  0.500  0.667  0.667  1.0
  N  N9  1  0.000  1.000  0.000  1.0
  N  N10  1  0.000  0.333  0.333  1.0
  N  N11  1  0.000  0.667  0.667  1.0
[/CIF]
.