The material structure described by Li4NbO4 crystallizes in the tetragonal I4/m space group. Li(1) is bonded to four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. Nb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to four equivalent Li(1) and one Nb(1) atom to form a mixture of corner and edge-sharing OLi4Nb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4NbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   94.877
_cell_angle_beta   94.877
_cell_angle_gamma   146.096
_symmetry_Int_Tables_number   1
_cell_volume   99.667
_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  0.664  0.159  0.822  1.0
  Li  Li1  1  0.159  0.336  0.495  1.0
  Li  Li2  1  0.841  0.664  0.505  1.0
  Li  Li3  1  0.336  0.841  0.178  1.0
  Nb  Nb4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.243  0.078  0.321  1.0
  O  O6  1  0.078  0.757  0.835  1.0
  O  O7  1  0.922  0.243  0.165  1.0
  O  O8  1  0.757  0.922  0.679  1.0
[/CIF]
.
The material structure described by Li4NbO4 crystallizes in the tetragonal I4/m space group. Li(1) is bonded to four equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. Nb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to four equivalent Li(1) and one Nb(1) atom to form a mixture of corner and edge-sharing OLi4Nb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4NbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   94.877
_cell_angle_beta   94.877
_cell_angle_gamma   146.096
_symmetry_Int_Tables_number   1
_cell_volume   99.667
_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  0.664  0.159  0.822  1.0
  Li  Li1  1  0.159  0.336  0.495  1.0
  Li  Li2  1  0.841  0.664  0.505  1.0
  Li  Li3  1  0.336  0.841  0.178  1.0
  Nb  Nb4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.243  0.078  0.321  1.0
  O  O6  1  0.078  0.757  0.835  1.0
  O  O7  1  0.922  0.243  0.165  1.0
  O  O8  1  0.757  0.922  0.679  1.0
[/CIF]
.