The material structure described by LiV2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form LiN5 trigonal bipyramids that share corners with two equivalent Li(1)N5 trigonal bipyramids, corners with six equivalent V(1)N5 trigonal bipyramids, edges with two equivalent Li(1)N5 trigonal bipyramids, and edges with four equivalent V(1)N5 trigonal bipyramids. V(1) is bonded to one N(2) and four equivalent N(1) atoms to form VN5 trigonal bipyramids that share corners with three equivalent Li(1)N5 trigonal bipyramids, corners with five equivalent V(1)N5 trigonal bipyramids, edges with two equivalent Li(1)N5 trigonal bipyramids, and edges with four equivalent V(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent Li(1) and two equivalent V(1) atoms to form NLi3V2 trigonal bipyramids that share corners with two equivalent N(2)Li3V2 trigonal bipyramids, corners with six equivalent N(1)LiV4 trigonal bipyramids, edges with two equivalent N(2)Li3V2 trigonal bipyramids, and edges with four equivalent N(1)LiV4 trigonal bipyramids. In the second N site, N(1) is bonded to one Li(1) and four equivalent V(1) atoms to form NLiV4 trigonal bipyramids that share corners with three equivalent N(2)Li3V2 trigonal bipyramids, corners with five equivalent N(1)LiV4 trigonal bipyramids, edges with two equivalent N(2)Li3V2 trigonal bipyramids, and edges with four equivalent N(1)LiV4 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiV2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.904
_cell_length_c   4.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.550
_symmetry_Int_Tables_number   1
_cell_volume   120.678
_cell_formula_units_Z   2
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  1.000  0.652  0.433  1.0
  Li  Li1  1  0.000  0.348  0.933  1.0
  V  V2  1  0.330  0.325  0.431  1.0
  V  V3  1  0.671  0.996  0.431  1.0
  V  V4  1  0.671  0.675  0.931  1.0
  V  V5  1  0.329  0.004  0.931  1.0
  N  N6  1  0.353  0.337  0.931  1.0
  N  N7  1  0.647  0.984  0.931  1.0
  N  N8  1  0.647  0.663  0.431  1.0
  N  N9  1  0.353  0.016  0.431  1.0
  N  N10  1  0.000  0.709  0.931  1.0
  N  N11  1  1.000  0.291  0.431  1.0
[/CIF]
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The material structure described by LiV2N3 crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form LiN5 trigonal bipyramids that share corners with two equivalent Li(1)N5 trigonal bipyramids, corners with six equivalent V(1)N5 trigonal bipyramids, edges with two equivalent Li(1)N5 trigonal bipyramids, and edges with four equivalent V(1)N5 trigonal bipyramids. V(1) is bonded to one N(2) and four equivalent N(1) atoms to form VN5 trigonal bipyramids that share corners with three equivalent Li(1)N5 trigonal bipyramids, corners with five equivalent V(1)N5 trigonal bipyramids, edges with two equivalent Li(1)N5 trigonal bipyramids, and edges with four equivalent V(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent Li(1) and two equivalent V(1) atoms to form NLi3V2 trigonal bipyramids that share corners with two equivalent N(2)Li3V2 trigonal bipyramids, corners with six equivalent N(1)LiV4 trigonal bipyramids, edges with two equivalent N(2)Li3V2 trigonal bipyramids, and edges with four equivalent N(1)LiV4 trigonal bipyramids. In the second N site, N(1) is bonded to one Li(1) and four equivalent V(1) atoms to form NLiV4 trigonal bipyramids that share corners with three equivalent N(2)Li3V2 trigonal bipyramids, corners with five equivalent N(1)LiV4 trigonal bipyramids, edges with two equivalent N(2)Li3V2 trigonal bipyramids, and edges with four equivalent N(1)LiV4 trigonal bipyramids. is represented by the CIF file [CIF]
data_LiV2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.904
_cell_length_c   4.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.550
_symmetry_Int_Tables_number   1
_cell_volume   120.678
_cell_formula_units_Z   2
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  1.000  0.652  0.433  1.0
  Li  Li1  1  0.000  0.348  0.933  1.0
  V  V2  1  0.330  0.325  0.431  1.0
  V  V3  1  0.671  0.996  0.431  1.0
  V  V4  1  0.671  0.675  0.931  1.0
  V  V5  1  0.329  0.004  0.931  1.0
  N  N6  1  0.353  0.337  0.931  1.0
  N  N7  1  0.647  0.984  0.931  1.0
  N  N8  1  0.647  0.663  0.431  1.0
  N  N9  1  0.353  0.016  0.431  1.0
  N  N10  1  0.000  0.709  0.931  1.0
  N  N11  1  1.000  0.291  0.431  1.0
[/CIF]
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