The structure described by Li5(NiN)3 crystallizes in the hexagonal P-62m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to two equivalent Li(1), three equivalent Li(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NLi5Ni2 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Li5(NiN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   3.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.195
_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  0.667  0.333  0.500  1.0
  Li  Li1  1  0.333  0.667  0.500  1.0
  Li  Li2  1  0.000  0.263  0.500  1.0
  Li  Li3  1  0.263  0.000  0.500  1.0
  Li  Li4  1  0.737  0.737  0.500  1.0
  Ni  Ni5  1  0.000  0.632  0.000  1.0
  Ni  Ni6  1  0.368  0.368  0.000  1.0
  Ni  Ni7  1  0.632  0.000  0.000  1.0
  N  N8  1  0.000  0.634  0.500  1.0
  N  N9  1  0.634  0.000  0.500  1.0
  N  N10  1  0.366  0.366  0.500  1.0
[/CIF]
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The structure described by Li5(NiN)3 crystallizes in the hexagonal P-62m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to two equivalent Li(1), three equivalent Li(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NLi5Ni2 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Li5(NiN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   3.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.195
_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  0.667  0.333  0.500  1.0
  Li  Li1  1  0.333  0.667  0.500  1.0
  Li  Li2  1  0.000  0.263  0.500  1.0
  Li  Li3  1  0.263  0.000  0.500  1.0
  Li  Li4  1  0.737  0.737  0.500  1.0
  Ni  Ni5  1  0.000  0.632  0.000  1.0
  Ni  Ni6  1  0.368  0.368  0.000  1.0
  Ni  Ni7  1  0.632  0.000  0.000  1.0
  N  N8  1  0.000  0.634  0.500  1.0
  N  N9  1  0.634  0.000  0.500  1.0
  N  N10  1  0.366  0.366  0.500  1.0
[/CIF]
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