The crystal structure described by Li5NBr2 crystallizes in the orthorhombic Immm 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(1) and three equivalent Br(1) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to two equivalent Li(2) and four equivalent Li(1) atoms to form NLi6 octahedra that share corners with two equivalent N(1)Li6 octahedra, corners with eight equivalent Br(1)Li6 pentagonal pyramids, and edges with two equivalent Br(1)Li6 pentagonal pyramids. The corner-sharing octahedra are not tilted. Br(1) is bonded to six equivalent Li(1) atoms to form distorted BrLi6 pentagonal pyramids that share corners with four equivalent N(1)Li6 octahedra,  an edgeedge with one N(1)Li6 octahedra, and edges with six equivalent Br(1)Li6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. is represented by the CIF file [CIF]
data_Li5Br2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.895
_cell_length_b   5.989
_cell_length_c   6.841
_cell_angle_alpha   115.963
_cell_angle_beta   106.540
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.087
_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  0.120  0.903  0.241  1.0
  Li  Li1  1  0.880  0.097  0.759  1.0
  Li  Li2  1  0.880  0.662  0.759  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.120  0.338  0.241  1.0
  Br  Br5  1  0.326  0.326  0.652  1.0
  Br  Br6  1  0.674  0.674  0.348  1.0
  N  N7  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Li5NBr2 crystallizes in the orthorhombic Immm 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(1) and three equivalent Br(1) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to two equivalent Li(2) and four equivalent Li(1) atoms to form NLi6 octahedra that share corners with two equivalent N(1)Li6 octahedra, corners with eight equivalent Br(1)Li6 pentagonal pyramids, and edges with two equivalent Br(1)Li6 pentagonal pyramids. The corner-sharing octahedra are not tilted. Br(1) is bonded to six equivalent Li(1) atoms to form distorted BrLi6 pentagonal pyramids that share corners with four equivalent N(1)Li6 octahedra,  an edgeedge with one N(1)Li6 octahedra, and edges with six equivalent Br(1)Li6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. is represented by the CIF file [CIF]
data_Li5Br2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.895
_cell_length_b   5.989
_cell_length_c   6.841
_cell_angle_alpha   115.963
_cell_angle_beta   106.540
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.087
_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  0.120  0.903  0.241  1.0
  Li  Li1  1  0.880  0.097  0.759  1.0
  Li  Li2  1  0.880  0.662  0.759  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.120  0.338  0.241  1.0
  Br  Br5  1  0.326  0.326  0.652  1.0
  Br  Br6  1  0.674  0.674  0.348  1.0
  N  N7  1  0.000  0.000  0.000  1.0
[/CIF]
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