The material described by LiNb(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(6), and one O(9) atom. Nb(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted NbO7 pentagonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O7 pentagonal bipyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Nb(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.321
_cell_length_b   7.181
_cell_length_c   7.709
_cell_angle_alpha   86.089
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.582
_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  0.387  0.659  0.644  1.0
  Li  Li1  1  0.887  0.341  0.356  1.0
  Nb  Nb2  1  0.780  0.749  0.223  1.0
  Nb  Nb3  1  0.280  0.251  0.777  1.0
  P  P4  1  0.876  0.993  0.583  1.0
  P  P5  1  0.173  0.914  0.105  1.0
  P  P6  1  0.013  0.622  0.590  1.0
  P  P7  1  0.391  0.580  0.099  1.0
  P  P8  1  0.891  0.420  0.901  1.0
  P  P9  1  0.513  0.378  0.410  1.0
  P  P10  1  0.673  0.086  0.895  1.0
  P  P11  1  0.376  0.007  0.417  1.0
  O  O12  1  0.789  0.976  0.771  1.0
  O  O13  1  0.204  0.995  0.923  1.0
  O  O14  1  0.768  0.921  0.448  1.0
  O  O15  1  0.005  0.912  0.177  1.0
  O  O16  1  0.017  0.839  0.624  1.0
  O  O17  1  0.446  0.816  0.449  1.0
  O  O18  1  0.231  0.701  0.116  1.0
  O  O19  1  0.542  0.694  0.096  1.0
  O  O20  1  0.960  0.595  0.405  1.0
  O  O21  1  0.867  0.543  0.048  1.0
  O  O22  1  0.873  0.543  0.718  1.0
  O  O23  1  0.173  0.541  0.646  1.0
  O  O24  1  0.673  0.459  0.354  1.0
  O  O25  1  0.373  0.457  0.282  1.0
  O  O26  1  0.367  0.457  0.952  1.0
  O  O27  1  0.460  0.405  0.595  1.0
  O  O28  1  0.042  0.306  0.904  1.0
  O  O29  1  0.731  0.299  0.884  1.0
  O  O30  1  0.946  0.184  0.551  1.0
  O  O31  1  0.517  0.161  0.376  1.0
  O  O32  1  0.505  0.088  0.823  1.0
  O  O33  1  0.268  0.079  0.552  1.0
  O  O34  1  0.704  0.005  0.077  1.0
  O  O35  1  0.289  0.024  0.229  1.0
[/CIF]
.
The material described by LiNb(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(6), and one O(9) atom. Nb(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form distorted NbO7 pentagonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Nb(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Nb(1)O7 pentagonal bipyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Nb(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.321
_cell_length_b   7.181
_cell_length_c   7.709
_cell_angle_alpha   86.089
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.582
_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  0.387  0.659  0.644  1.0
  Li  Li1  1  0.887  0.341  0.356  1.0
  Nb  Nb2  1  0.780  0.749  0.223  1.0
  Nb  Nb3  1  0.280  0.251  0.777  1.0
  P  P4  1  0.876  0.993  0.583  1.0
  P  P5  1  0.173  0.914  0.105  1.0
  P  P6  1  0.013  0.622  0.590  1.0
  P  P7  1  0.391  0.580  0.099  1.0
  P  P8  1  0.891  0.420  0.901  1.0
  P  P9  1  0.513  0.378  0.410  1.0
  P  P10  1  0.673  0.086  0.895  1.0
  P  P11  1  0.376  0.007  0.417  1.0
  O  O12  1  0.789  0.976  0.771  1.0
  O  O13  1  0.204  0.995  0.923  1.0
  O  O14  1  0.768  0.921  0.448  1.0
  O  O15  1  0.005  0.912  0.177  1.0
  O  O16  1  0.017  0.839  0.624  1.0
  O  O17  1  0.446  0.816  0.449  1.0
  O  O18  1  0.231  0.701  0.116  1.0
  O  O19  1  0.542  0.694  0.096  1.0
  O  O20  1  0.960  0.595  0.405  1.0
  O  O21  1  0.867  0.543  0.048  1.0
  O  O22  1  0.873  0.543  0.718  1.0
  O  O23  1  0.173  0.541  0.646  1.0
  O  O24  1  0.673  0.459  0.354  1.0
  O  O25  1  0.373  0.457  0.282  1.0
  O  O26  1  0.367  0.457  0.952  1.0
  O  O27  1  0.460  0.405  0.595  1.0
  O  O28  1  0.042  0.306  0.904  1.0
  O  O29  1  0.731  0.299  0.884  1.0
  O  O30  1  0.946  0.184  0.551  1.0
  O  O31  1  0.517  0.161  0.376  1.0
  O  O32  1  0.505  0.088  0.823  1.0
  O  O33  1  0.268  0.079  0.552  1.0
  O  O34  1  0.704  0.005  0.077  1.0
  O  O35  1  0.289  0.024  0.229  1.0
[/CIF]
.