The structure described by LiNbO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Nb(1)O6 pentagonal pyramids, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. Nb(1) is bonded to six equivalent O(1) atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. O(1) is bonded to three equivalent Li(1) and three equivalent Nb(1) atoms to form a mixture of edge, corner, and face-sharing OLi3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.922
_cell_length_b   2.922
_cell_length_c   10.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   77.266
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.333  0.667  0.750  1.0
  Nb  Nb3  1  0.667  0.333  0.250  1.0
  O  O4  1  0.333  0.667  0.122  1.0
  O  O5  1  0.333  0.667  0.378  1.0
  O  O6  1  0.667  0.333  0.622  1.0
  O  O7  1  0.667  0.333  0.878  1.0
[/CIF]
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The structure described by LiNbO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Nb(1)O6 pentagonal pyramids, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. Nb(1) is bonded to six equivalent O(1) atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. O(1) is bonded to three equivalent Li(1) and three equivalent Nb(1) atoms to form a mixture of edge, corner, and face-sharing OLi3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 0-46°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.922
_cell_length_b   2.922
_cell_length_c   10.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   77.266
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Nb  Nb2  1  0.333  0.667  0.750  1.0
  Nb  Nb3  1  0.667  0.333  0.250  1.0
  O  O4  1  0.333  0.667  0.122  1.0
  O  O5  1  0.333  0.667  0.378  1.0
  O  O6  1  0.667  0.333  0.622  1.0
  O  O7  1  0.667  0.333  0.878  1.0
[/CIF]
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