The material described by Na5LiN2 crystallizes in the monoclinic Pm space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the fourth Na site, Na(4) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the fifth Na site, Na(5) is bonded in a linear geometry to two equivalent N(1) atoms. Li(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 one Na(1), one Na(3), two equivalent Na(2), two equivalent Na(4), and two equivalent Na(5) atoms to form distorted NNa8 hexagonal bipyramids that share corners with two equivalent N(1)Na8 hexagonal bipyramids, edges with two equivalent N(1)Na8 hexagonal bipyramids, and edges with four equivalent N(2)Na6Li2 hexagonal bipyramids. In the second N site, N(2) is bonded to one Na(2), one Na(4), two equivalent Na(1), two equivalent Na(3), and two equivalent Li(1) atoms to form distorted NNa6Li2 hexagonal bipyramids that share corners with two equivalent N(2)Na6Li2 hexagonal bipyramids, edges with two equivalent N(2)Na6Li2 hexagonal bipyramids, and edges with four equivalent N(1)Na8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5LiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.429
_cell_length_b   4.400
_cell_length_c   7.673
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.542
_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  0.395  0.044  1.0
  Na  Na1  1  0.000  0.593  0.882  1.0
  Na  Na2  1  0.500  0.591  0.372  1.0
  Na  Na3  1  0.000  0.419  0.543  1.0
  Na  Na4  1  0.500  0.002  0.706  1.0
  Li  Li5  1  0.000  0.999  0.213  1.0
  N  N6  1  0.500  0.502  0.712  1.0
  N  N7  1  0.000  0.497  0.211  1.0
[/CIF]
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The material described by Na5LiN2 crystallizes in the monoclinic Pm space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the fourth Na site, Na(4) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the fifth Na site, Na(5) is bonded in a linear geometry to two equivalent N(1) atoms. Li(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 one Na(1), one Na(3), two equivalent Na(2), two equivalent Na(4), and two equivalent Na(5) atoms to form distorted NNa8 hexagonal bipyramids that share corners with two equivalent N(1)Na8 hexagonal bipyramids, edges with two equivalent N(1)Na8 hexagonal bipyramids, and edges with four equivalent N(2)Na6Li2 hexagonal bipyramids. In the second N site, N(2) is bonded to one Na(2), one Na(4), two equivalent Na(1), two equivalent Na(3), and two equivalent Li(1) atoms to form distorted NNa6Li2 hexagonal bipyramids that share corners with two equivalent N(2)Na6Li2 hexagonal bipyramids, edges with two equivalent N(2)Na6Li2 hexagonal bipyramids, and edges with four equivalent N(1)Na8 hexagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5LiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.429
_cell_length_b   4.400
_cell_length_c   7.673
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.542
_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  0.395  0.044  1.0
  Na  Na1  1  0.000  0.593  0.882  1.0
  Na  Na2  1  0.500  0.591  0.372  1.0
  Na  Na3  1  0.000  0.419  0.543  1.0
  Na  Na4  1  0.500  0.002  0.706  1.0
  Li  Li5  1  0.000  0.999  0.213  1.0
  N  N6  1  0.500  0.502  0.712  1.0
  N  N7  1  0.000  0.497  0.211  1.0
[/CIF]
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