The crystal structure described by Li9Mn3N4 crystallizes in the monoclinic C2/m space group. There are five 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 trigonal planar geometry to three equivalent N(1) atoms. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to three equivalent N(2) atoms. In the fifth Li site, Li(5) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), two equivalent Li(3), three equivalent Li(2), one Mn(1), and one Mn(2) atom to form NLi6Mn2 hexagonal bipyramids that share  a cornercorner with one N(1)Li6Mn2 hexagonal bipyramid,  a cornercorner with one N(2)Li7Mn hexagonal bipyramid, edges with two equivalent N(2)Li7Mn hexagonal bipyramids, and edges with four equivalent N(1)Li6Mn2 hexagonal bipyramids. In the second N site, N(2) is bonded to one Li(3), one Li(5), two equivalent Li(1), three equivalent Li(4), and one Mn(1) atom to form NLi7Mn hexagonal bipyramids that share  a cornercorner with one N(1)Li6Mn2 hexagonal bipyramid,  a cornercorner with one N(2)Li7Mn hexagonal bipyramid, edges with two equivalent N(1)Li6Mn2 hexagonal bipyramids, and edges with four equivalent N(2)Li7Mn hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.356
_cell_length_b   5.356
_cell_length_c   10.040
_cell_angle_alpha   80.645
_cell_angle_beta   80.645
_cell_angle_gamma   40.779
_symmetry_Int_Tables_number   1
_cell_volume   185.266
_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  0.453  0.453  0.290  1.0
  Li  Li1  1  0.207  0.207  0.042  1.0
  Li  Li2  1  0.961  0.961  0.791  1.0
  Li  Li3  1  0.712  0.712  0.543  1.0
  Li  Li4  1  0.793  0.793  0.958  1.0
  Li  Li5  1  0.547  0.547  0.710  1.0
  Li  Li6  1  0.288  0.288  0.457  1.0
  Li  Li7  1  0.039  0.039  0.209  1.0
  Li  Li8  1  0.000  0.000  0.500  1.0
  Mn  Mn9  1  0.755  0.755  0.247  1.0
  Mn  Mn10  1  0.500  0.500  0.000  1.0
  Mn  Mn11  1  0.245  0.245  0.753  1.0
  N  N12  1  0.624  0.624  0.126  1.0
  N  N13  1  0.376  0.376  0.874  1.0
  N  N14  1  0.127  0.127  0.625  1.0
  N  N15  1  0.873  0.873  0.375  1.0
[/CIF]
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The crystal structure described by Li9Mn3N4 crystallizes in the monoclinic C2/m space group. There are five 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 trigonal planar geometry to three equivalent N(1) atoms. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to three equivalent N(2) atoms. In the fifth Li site, Li(5) is bonded in a linear geometry to two equivalent N(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), two equivalent Li(3), three equivalent Li(2), one Mn(1), and one Mn(2) atom to form NLi6Mn2 hexagonal bipyramids that share  a cornercorner with one N(1)Li6Mn2 hexagonal bipyramid,  a cornercorner with one N(2)Li7Mn hexagonal bipyramid, edges with two equivalent N(2)Li7Mn hexagonal bipyramids, and edges with four equivalent N(1)Li6Mn2 hexagonal bipyramids. In the second N site, N(2) is bonded to one Li(3), one Li(5), two equivalent Li(1), three equivalent Li(4), and one Mn(1) atom to form NLi7Mn hexagonal bipyramids that share  a cornercorner with one N(1)Li6Mn2 hexagonal bipyramid,  a cornercorner with one N(2)Li7Mn hexagonal bipyramid, edges with two equivalent N(1)Li6Mn2 hexagonal bipyramids, and edges with four equivalent N(2)Li7Mn hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.356
_cell_length_b   5.356
_cell_length_c   10.040
_cell_angle_alpha   80.645
_cell_angle_beta   80.645
_cell_angle_gamma   40.779
_symmetry_Int_Tables_number   1
_cell_volume   185.266
_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  0.453  0.453  0.290  1.0
  Li  Li1  1  0.207  0.207  0.042  1.0
  Li  Li2  1  0.961  0.961  0.791  1.0
  Li  Li3  1  0.712  0.712  0.543  1.0
  Li  Li4  1  0.793  0.793  0.958  1.0
  Li  Li5  1  0.547  0.547  0.710  1.0
  Li  Li6  1  0.288  0.288  0.457  1.0
  Li  Li7  1  0.039  0.039  0.209  1.0
  Li  Li8  1  0.000  0.000  0.500  1.0
  Mn  Mn9  1  0.755  0.755  0.247  1.0
  Mn  Mn10  1  0.500  0.500  0.000  1.0
  Mn  Mn11  1  0.245  0.245  0.753  1.0
  N  N12  1  0.624  0.624  0.126  1.0
  N  N13  1  0.376  0.376  0.874  1.0
  N  N14  1  0.127  0.127  0.625  1.0
  N  N15  1  0.873  0.873  0.375  1.0
[/CIF]
.