The material described by Na5LiN2 crystallizes in the monoclinic P2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the third Na site, Na(3) is bonded in a linear geometry to two equivalent N(2) atoms. Li(1) 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 two equivalent Na(2), four equivalent Na(1), and two equivalent Li(1) atoms to form distorted NNa6Li2 hexagonal bipyramids that share corners with two equivalent N(1)Na6Li2 hexagonal bipyramids, edges with two equivalent N(1)Na6Li2 hexagonal bipyramids, and edges with four equivalent N(2)Na8 hexagonal bipyramids. In the second N site, N(2) is bonded to two equivalent Na(1), two equivalent Na(3), and four equivalent Na(2) atoms to form distorted NNa8 hexagonal bipyramids that share corners with two equivalent N(2)Na8 hexagonal bipyramids, edges with two equivalent N(2)Na8 hexagonal bipyramids, and edges with four equivalent N(1)Na6Li2 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Na5LiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.450
_cell_length_b   4.388
_cell_length_c   7.678
_cell_angle_alpha   89.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.927
_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
  Na  Na0  1  0.500  0.092  0.667  1.0
  Na  Na1  1  0.000  0.917  0.831  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.500  0.908  0.333  1.0
  Na  Na4  1  0.000  0.083  0.169  1.0
  Li  Li5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.000  0.000  0.500  1.0
  N  N7  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by Na5LiN2 crystallizes in the monoclinic P2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the third Na site, Na(3) is bonded in a linear geometry to two equivalent N(2) atoms. Li(1) 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 two equivalent Na(2), four equivalent Na(1), and two equivalent Li(1) atoms to form distorted NNa6Li2 hexagonal bipyramids that share corners with two equivalent N(1)Na6Li2 hexagonal bipyramids, edges with two equivalent N(1)Na6Li2 hexagonal bipyramids, and edges with four equivalent N(2)Na8 hexagonal bipyramids. In the second N site, N(2) is bonded to two equivalent Na(1), two equivalent Na(3), and four equivalent Na(2) atoms to form distorted NNa8 hexagonal bipyramids that share corners with two equivalent N(2)Na8 hexagonal bipyramids, edges with two equivalent N(2)Na8 hexagonal bipyramids, and edges with four equivalent N(1)Na6Li2 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Na5LiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.450
_cell_length_b   4.388
_cell_length_c   7.678
_cell_angle_alpha   89.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.927
_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
  Na  Na0  1  0.500  0.092  0.667  1.0
  Na  Na1  1  0.000  0.917  0.831  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.500  0.908  0.333  1.0
  Na  Na4  1  0.000  0.083  0.169  1.0
  Li  Li5  1  0.000  0.500  0.500  1.0
  N  N6  1  0.000  0.000  0.500  1.0
  N  N7  1  0.500  0.000  0.000  1.0
[/CIF]
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