The structure described by Li3VN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form distorted corner-sharing LiN4 tetrahedra. In the second Li site, Li(2) is bonded in a water-like geometry to two equivalent N(1) atoms. V(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3VN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.683
_cell_length_b   7.224
_cell_length_c   11.477
_cell_angle_alpha   90.000
_cell_angle_beta   138.325
_cell_angle_gamma   118.045
_symmetry_Int_Tables_number   1
_cell_volume   299.475
_cell_formula_units_Z   4
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  0.000  0.500  0.374  1.0
  Li  Li1  1  0.000  0.000  0.876  1.0
  Li  Li2  1  0.000  0.500  0.126  1.0
  Li  Li3  1  0.000  0.000  0.124  1.0
  Li  Li4  1  0.513  0.500  0.507  1.0
  Li  Li5  1  0.487  0.500  0.993  1.0
  Li  Li6  1  0.513  0.000  0.257  1.0
  Li  Li7  1  0.487  0.000  0.743  1.0
  Li  Li8  1  0.487  0.987  0.993  1.0
  Li  Li9  1  0.513  0.013  0.507  1.0
  Li  Li10  1  0.487  0.487  0.743  1.0
  Li  Li11  1  0.513  0.513  0.257  1.0
  V  V12  1  0.000  0.500  0.616  1.0
  V  V13  1  0.000  0.000  0.634  1.0
  V  V14  1  0.000  0.500  0.884  1.0
  V  V15  1  0.000  0.000  0.366  1.0
  N  N16  1  0.397  0.698  0.733  1.0
  N  N17  1  0.603  0.302  0.336  1.0
  N  N18  1  0.397  0.198  0.914  1.0
  N  N19  1  0.603  0.802  0.517  1.0
  N  N20  1  0.000  0.302  0.966  1.0
  N  N21  1  0.000  0.698  0.966  1.0
  N  N22  1  0.000  0.802  0.284  1.0
  N  N23  1  0.000  0.198  0.284  1.0
[/CIF]
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The structure described by Li3VN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form distorted corner-sharing LiN4 tetrahedra. In the second Li site, Li(2) is bonded in a water-like geometry to two equivalent N(1) atoms. V(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3VN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.683
_cell_length_b   7.224
_cell_length_c   11.477
_cell_angle_alpha   90.000
_cell_angle_beta   138.325
_cell_angle_gamma   118.045
_symmetry_Int_Tables_number   1
_cell_volume   299.475
_cell_formula_units_Z   4
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  0.000  0.500  0.374  1.0
  Li  Li1  1  0.000  0.000  0.876  1.0
  Li  Li2  1  0.000  0.500  0.126  1.0
  Li  Li3  1  0.000  0.000  0.124  1.0
  Li  Li4  1  0.513  0.500  0.507  1.0
  Li  Li5  1  0.487  0.500  0.993  1.0
  Li  Li6  1  0.513  0.000  0.257  1.0
  Li  Li7  1  0.487  0.000  0.743  1.0
  Li  Li8  1  0.487  0.987  0.993  1.0
  Li  Li9  1  0.513  0.013  0.507  1.0
  Li  Li10  1  0.487  0.487  0.743  1.0
  Li  Li11  1  0.513  0.513  0.257  1.0
  V  V12  1  0.000  0.500  0.616  1.0
  V  V13  1  0.000  0.000  0.634  1.0
  V  V14  1  0.000  0.500  0.884  1.0
  V  V15  1  0.000  0.000  0.366  1.0
  N  N16  1  0.397  0.698  0.733  1.0
  N  N17  1  0.603  0.302  0.336  1.0
  N  N18  1  0.397  0.198  0.914  1.0
  N  N19  1  0.603  0.802  0.517  1.0
  N  N20  1  0.000  0.302  0.966  1.0
  N  N21  1  0.000  0.698  0.966  1.0
  N  N22  1  0.000  0.802  0.284  1.0
  N  N23  1  0.000  0.198  0.284  1.0
[/CIF]
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