The compound described by Li3NbP3O11 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(4), one O(7), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(11), one O(5), one O(8), and one O(9) atom. Nb(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are three 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 P(2)O4 tetrahedra and corners with three equivalent Li(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(11), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 trigonal pyramid. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Nb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Nb(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Nb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(3), one Nb(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Nb(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Nb(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li3NbP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   8.231
_cell_length_c   8.353
_cell_angle_alpha   106.824
_cell_angle_beta   92.933
_cell_angle_gamma   102.237
_symmetry_Int_Tables_number   1
_cell_volume   389.903
_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  0.622  0.997  0.819  1.0
  Li  Li1  1  0.400  0.144  0.537  1.0
  Li  Li2  1  0.721  0.427  0.947  1.0
  Li  Li3  1  0.279  0.573  0.053  1.0
  Li  Li4  1  0.600  0.856  0.463  1.0
  Li  Li5  1  0.378  0.003  0.181  1.0
  Nb  Nb6  1  0.881  0.669  0.727  1.0
  Nb  Nb7  1  0.119  0.331  0.273  1.0
  P  P8  1  0.907  0.232  0.623  1.0
  P  P9  1  0.151  0.127  0.869  1.0
  P  P10  1  0.608  0.383  0.312  1.0
  P  P11  1  0.392  0.617  0.688  1.0
  P  P12  1  0.849  0.873  0.131  1.0
  P  P13  1  0.093  0.768  0.377  1.0
  O  O14  1  0.693  0.099  0.627  1.0
  O  O15  1  0.391  0.113  0.894  1.0
  O  O16  1  0.946  0.220  0.444  1.0
  O  O17  1  0.130  0.181  0.693  1.0
  O  O18  1  0.903  0.412  0.747  1.0
  O  O19  1  0.040  0.038  0.162  1.0
  O  O20  1  0.422  0.234  0.341  1.0
  O  O21  1  0.769  0.308  0.189  1.0
  O  O22  1  0.541  0.527  0.776  1.0
  O  O23  1  0.739  0.501  0.480  1.0
  O  O24  1  0.902  0.713  0.999  1.0
  O  O25  1  0.098  0.287  0.001  1.0
  O  O26  1  0.261  0.499  0.520  1.0
  O  O27  1  0.459  0.473  0.224  1.0
  O  O28  1  0.231  0.692  0.811  1.0
  O  O29  1  0.578  0.766  0.659  1.0
  O  O30  1  0.960  0.962  0.838  1.0
  O  O31  1  0.097  0.588  0.253  1.0
  O  O32  1  0.870  0.819  0.307  1.0
  O  O33  1  0.054  0.780  0.556  1.0
  O  O34  1  0.609  0.887  0.106  1.0
  O  O35  1  0.307  0.901  0.373  1.0
[/CIF]
.
The compound described by Li3NbP3O11 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(4), one O(7), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(11), one O(5), one O(8), and one O(9) atom. Nb(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are three 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 P(2)O4 tetrahedra and corners with three equivalent Li(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(11), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 trigonal pyramid. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted edge-sharing OLi3P trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Nb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Nb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Nb(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Nb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(3), one Nb(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Nb(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Nb(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li3NbP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   8.231
_cell_length_c   8.353
_cell_angle_alpha   106.824
_cell_angle_beta   92.933
_cell_angle_gamma   102.237
_symmetry_Int_Tables_number   1
_cell_volume   389.903
_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  0.622  0.997  0.819  1.0
  Li  Li1  1  0.400  0.144  0.537  1.0
  Li  Li2  1  0.721  0.427  0.947  1.0
  Li  Li3  1  0.279  0.573  0.053  1.0
  Li  Li4  1  0.600  0.856  0.463  1.0
  Li  Li5  1  0.378  0.003  0.181  1.0
  Nb  Nb6  1  0.881  0.669  0.727  1.0
  Nb  Nb7  1  0.119  0.331  0.273  1.0
  P  P8  1  0.907  0.232  0.623  1.0
  P  P9  1  0.151  0.127  0.869  1.0
  P  P10  1  0.608  0.383  0.312  1.0
  P  P11  1  0.392  0.617  0.688  1.0
  P  P12  1  0.849  0.873  0.131  1.0
  P  P13  1  0.093  0.768  0.377  1.0
  O  O14  1  0.693  0.099  0.627  1.0
  O  O15  1  0.391  0.113  0.894  1.0
  O  O16  1  0.946  0.220  0.444  1.0
  O  O17  1  0.130  0.181  0.693  1.0
  O  O18  1  0.903  0.412  0.747  1.0
  O  O19  1  0.040  0.038  0.162  1.0
  O  O20  1  0.422  0.234  0.341  1.0
  O  O21  1  0.769  0.308  0.189  1.0
  O  O22  1  0.541  0.527  0.776  1.0
  O  O23  1  0.739  0.501  0.480  1.0
  O  O24  1  0.902  0.713  0.999  1.0
  O  O25  1  0.098  0.287  0.001  1.0
  O  O26  1  0.261  0.499  0.520  1.0
  O  O27  1  0.459  0.473  0.224  1.0
  O  O28  1  0.231  0.692  0.811  1.0
  O  O29  1  0.578  0.766  0.659  1.0
  O  O30  1  0.960  0.962  0.838  1.0
  O  O31  1  0.097  0.588  0.253  1.0
  O  O32  1  0.870  0.819  0.307  1.0
  O  O33  1  0.054  0.780  0.556  1.0
  O  O34  1  0.609  0.887  0.106  1.0
  O  O35  1  0.307  0.901  0.373  1.0
[/CIF]
.