The structure described by LiNb(PO3)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiNb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.519
_cell_length_b   10.519
_cell_length_c   5.419
_cell_angle_alpha   80.990
_cell_angle_beta   80.990
_cell_angle_gamma   70.174
_symmetry_Int_Tables_number   1
_cell_volume   553.708
_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  0.438  0.438  0.608  1.0
  Li  Li1  1  0.562  0.562  0.392  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  P  P4  1  0.368  0.780  0.822  1.0
  P  P5  1  0.780  0.368  0.822  1.0
  P  P6  1  0.939  0.700  0.463  1.0
  P  P7  1  0.700  0.939  0.463  1.0
  P  P8  1  0.061  0.300  0.537  1.0
  P  P9  1  0.300  0.061  0.537  1.0
  P  P10  1  0.220  0.632  0.178  1.0
  P  P11  1  0.632  0.220  0.178  1.0
  O  O12  1  0.233  0.767  0.000  1.0
  O  O13  1  0.767  0.233  0.000  1.0
  O  O14  1  0.678  0.924  0.747  1.0
  O  O15  1  0.924  0.678  0.747  1.0
  O  O16  1  0.180  0.550  0.015  1.0
  O  O17  1  0.550  0.180  0.015  1.0
  O  O18  1  0.434  0.660  0.681  1.0
  O  O19  1  0.660  0.434  0.681  1.0
  O  O20  1  0.910  0.297  0.631  1.0
  O  O21  1  0.297  0.910  0.631  1.0
  O  O22  1  0.857  0.857  0.380  1.0
  O  O23  1  0.103  0.390  0.673  1.0
  O  O24  1  0.390  0.103  0.673  1.0
  O  O25  1  0.610  0.897  0.327  1.0
  O  O26  1  0.897  0.610  0.327  1.0
  O  O27  1  0.143  0.143  0.620  1.0
  O  O28  1  0.090  0.703  0.369  1.0
  O  O29  1  0.703  0.090  0.369  1.0
  O  O30  1  0.340  0.566  0.319  1.0
  O  O31  1  0.566  0.340  0.319  1.0
  O  O32  1  0.450  0.820  0.985  1.0
  O  O33  1  0.820  0.450  0.985  1.0
  O  O34  1  0.076  0.322  0.253  1.0
  O  O35  1  0.322  0.076  0.253  1.0
[/CIF]
.
The structure described by LiNb(PO3)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiNb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.519
_cell_length_b   10.519
_cell_length_c   5.419
_cell_angle_alpha   80.990
_cell_angle_beta   80.990
_cell_angle_gamma   70.174
_symmetry_Int_Tables_number   1
_cell_volume   553.708
_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  0.438  0.438  0.608  1.0
  Li  Li1  1  0.562  0.562  0.392  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.500  0.000  1.0
  P  P4  1  0.368  0.780  0.822  1.0
  P  P5  1  0.780  0.368  0.822  1.0
  P  P6  1  0.939  0.700  0.463  1.0
  P  P7  1  0.700  0.939  0.463  1.0
  P  P8  1  0.061  0.300  0.537  1.0
  P  P9  1  0.300  0.061  0.537  1.0
  P  P10  1  0.220  0.632  0.178  1.0
  P  P11  1  0.632  0.220  0.178  1.0
  O  O12  1  0.233  0.767  0.000  1.0
  O  O13  1  0.767  0.233  0.000  1.0
  O  O14  1  0.678  0.924  0.747  1.0
  O  O15  1  0.924  0.678  0.747  1.0
  O  O16  1  0.180  0.550  0.015  1.0
  O  O17  1  0.550  0.180  0.015  1.0
  O  O18  1  0.434  0.660  0.681  1.0
  O  O19  1  0.660  0.434  0.681  1.0
  O  O20  1  0.910  0.297  0.631  1.0
  O  O21  1  0.297  0.910  0.631  1.0
  O  O22  1  0.857  0.857  0.380  1.0
  O  O23  1  0.103  0.390  0.673  1.0
  O  O24  1  0.390  0.103  0.673  1.0
  O  O25  1  0.610  0.897  0.327  1.0
  O  O26  1  0.897  0.610  0.327  1.0
  O  O27  1  0.143  0.143  0.620  1.0
  O  O28  1  0.090  0.703  0.369  1.0
  O  O29  1  0.703  0.090  0.369  1.0
  O  O30  1  0.340  0.566  0.319  1.0
  O  O31  1  0.566  0.340  0.319  1.0
  O  O32  1  0.450  0.820  0.985  1.0
  O  O33  1  0.820  0.450  0.985  1.0
  O  O34  1  0.076  0.322  0.253  1.0
  O  O35  1  0.322  0.076  0.253  1.0
[/CIF]
.