The material structure described by LiNb2O is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent Li(1) and six equivalent Nb(1) atoms to form LiLi6Nb6 cuboctahedra that share corners with six equivalent Li(1)Li6Nb6 cuboctahedra, corners with six equivalent O(1)Nb6 octahedra, edges with six equivalent Li(1)Li6Nb6 cuboctahedra, edges with six equivalent O(1)Nb6 octahedra, and faces with six equivalent Li(1)Li6Nb6 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. Nb(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) and three equivalent O(1) atoms. O(1) is bonded to six equivalent Nb(1) atoms to form distorted ONb6 octahedra that share corners with six equivalent Li(1)Li6Nb6 cuboctahedra, edges with six equivalent Li(1)Li6Nb6 cuboctahedra, and edges with six equivalent O(1)Nb6 octahedra. is represented by the CIF card [CIF]
data_LiNb2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.876
_cell_length_b   2.876
_cell_length_c   16.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.092
_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  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Nb  Nb2  1  0.333  0.667  0.594  1.0
  Nb  Nb3  1  0.667  0.333  0.406  1.0
  Nb  Nb4  1  0.667  0.333  0.094  1.0
  Nb  Nb5  1  0.333  0.667  0.906  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by LiNb2O is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent Li(1) and six equivalent Nb(1) atoms to form LiLi6Nb6 cuboctahedra that share corners with six equivalent Li(1)Li6Nb6 cuboctahedra, corners with six equivalent O(1)Nb6 octahedra, edges with six equivalent Li(1)Li6Nb6 cuboctahedra, edges with six equivalent O(1)Nb6 octahedra, and faces with six equivalent Li(1)Li6Nb6 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. Nb(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) and three equivalent O(1) atoms. O(1) is bonded to six equivalent Nb(1) atoms to form distorted ONb6 octahedra that share corners with six equivalent Li(1)Li6Nb6 cuboctahedra, edges with six equivalent Li(1)Li6Nb6 cuboctahedra, and edges with six equivalent O(1)Nb6 octahedra. is represented by the CIF card [CIF]
data_LiNb2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.876
_cell_length_b   2.876
_cell_length_c   16.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.092
_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  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Nb  Nb2  1  0.333  0.667  0.594  1.0
  Nb  Nb3  1  0.667  0.333  0.406  1.0
  Nb  Nb4  1  0.667  0.333  0.094  1.0
  Nb  Nb5  1  0.333  0.667  0.906  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.000  0.000  0.500  1.0
[/CIF]
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