The structure described by LiUNbO6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent U(1)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 59-60°. U(1) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent Nb(1)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 1-36°. Nb(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent U(1)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Nb(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Nb(1) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Nb(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one U(1) atom. In the fifth O site, O(4) is bonded in a distorted linear geometry to one U(1) and one Nb(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one U(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiUNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.495
_cell_length_b   7.624
_cell_length_c   10.428
_cell_angle_alpha   79.322
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.476
_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  0.002  0.179  0.002  1.0
  Li  Li1  1  0.498  0.679  0.002  1.0
  Li  Li2  1  0.998  0.821  0.998  1.0
  Li  Li3  1  0.502  0.321  0.998  1.0
  U  U4  1  0.699  0.579  0.693  1.0
  U  U5  1  0.199  0.921  0.307  1.0
  U  U6  1  0.301  0.421  0.307  1.0
  U  U7  1  0.801  0.079  0.693  1.0
  Nb  Nb8  1  0.249  0.820  0.724  1.0
  Nb  Nb9  1  0.749  0.680  0.276  1.0
  Nb  Nb10  1  0.751  0.180  0.276  1.0
  Nb  Nb11  1  0.251  0.320  0.724  1.0
  O  O12  1  0.945  0.785  0.703  1.0
  O  O13  1  0.445  0.715  0.297  1.0
  O  O14  1  0.055  0.215  0.297  1.0
  O  O15  1  0.555  0.285  0.703  1.0
  O  O16  1  0.250  0.775  0.901  1.0
  O  O17  1  0.250  0.275  0.901  1.0
  O  O18  1  0.750  0.225  0.099  1.0
  O  O19  1  0.750  0.725  0.099  1.0
  O  O20  1  0.840  0.034  0.875  1.0
  O  O21  1  0.340  0.466  0.125  1.0
  O  O22  1  0.160  0.966  0.125  1.0
  O  O23  1  0.660  0.534  0.875  1.0
  O  O24  1  0.782  0.125  0.513  1.0
  O  O25  1  0.282  0.375  0.487  1.0
  O  O26  1  0.218  0.875  0.487  1.0
  O  O27  1  0.718  0.625  0.513  1.0
  O  O28  1  0.172  0.079  0.688  1.0
  O  O29  1  0.672  0.421  0.312  1.0
  O  O30  1  0.828  0.921  0.312  1.0
  O  O31  1  0.328  0.579  0.688  1.0
  O  O32  1  0.951  0.370  0.697  1.0
  O  O33  1  0.451  0.130  0.303  1.0
  O  O34  1  0.049  0.630  0.303  1.0
  O  O35  1  0.549  0.870  0.697  1.0
[/CIF]
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The structure described by LiUNbO6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent U(1)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 59-60°. U(1) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent Nb(1)O6 octahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Nb(1)O6 octahedra, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 1-36°. Nb(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent U(1)O7 pentagonal bipyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent U(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Nb(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Nb(1) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Nb(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one U(1) atom. In the fifth O site, O(4) is bonded in a distorted linear geometry to one U(1) and one Nb(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one U(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiUNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.495
_cell_length_b   7.624
_cell_length_c   10.428
_cell_angle_alpha   79.322
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.476
_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  0.002  0.179  0.002  1.0
  Li  Li1  1  0.498  0.679  0.002  1.0
  Li  Li2  1  0.998  0.821  0.998  1.0
  Li  Li3  1  0.502  0.321  0.998  1.0
  U  U4  1  0.699  0.579  0.693  1.0
  U  U5  1  0.199  0.921  0.307  1.0
  U  U6  1  0.301  0.421  0.307  1.0
  U  U7  1  0.801  0.079  0.693  1.0
  Nb  Nb8  1  0.249  0.820  0.724  1.0
  Nb  Nb9  1  0.749  0.680  0.276  1.0
  Nb  Nb10  1  0.751  0.180  0.276  1.0
  Nb  Nb11  1  0.251  0.320  0.724  1.0
  O  O12  1  0.945  0.785  0.703  1.0
  O  O13  1  0.445  0.715  0.297  1.0
  O  O14  1  0.055  0.215  0.297  1.0
  O  O15  1  0.555  0.285  0.703  1.0
  O  O16  1  0.250  0.775  0.901  1.0
  O  O17  1  0.250  0.275  0.901  1.0
  O  O18  1  0.750  0.225  0.099  1.0
  O  O19  1  0.750  0.725  0.099  1.0
  O  O20  1  0.840  0.034  0.875  1.0
  O  O21  1  0.340  0.466  0.125  1.0
  O  O22  1  0.160  0.966  0.125  1.0
  O  O23  1  0.660  0.534  0.875  1.0
  O  O24  1  0.782  0.125  0.513  1.0
  O  O25  1  0.282  0.375  0.487  1.0
  O  O26  1  0.218  0.875  0.487  1.0
  O  O27  1  0.718  0.625  0.513  1.0
  O  O28  1  0.172  0.079  0.688  1.0
  O  O29  1  0.672  0.421  0.312  1.0
  O  O30  1  0.828  0.921  0.312  1.0
  O  O31  1  0.328  0.579  0.688  1.0
  O  O32  1  0.951  0.370  0.697  1.0
  O  O33  1  0.451  0.130  0.303  1.0
  O  O34  1  0.049  0.630  0.303  1.0
  O  O35  1  0.549  0.870  0.697  1.0
[/CIF]
.