The structure 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 3-coordinate geometry to one O(1), one O(7), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(10), one O(7), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(11), one O(8), and one O(9) atom. Nb(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(4), and one O(6) atom. In the third P site, P(3) is bonded in a 4-coordinate geometry to one O(10), one O(7), one O(8), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Li(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 water-like geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Nb(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-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 bent 120 degrees 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 linear geometry to one Li(3) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), 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 Crystallographic Information File (CIF) [CIF]
data_Li3NbP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.231
_cell_length_b   8.353
_cell_length_c   6.107
_cell_angle_alpha   92.933
_cell_angle_beta   102.237
_cell_angle_gamma   106.824
_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  0.819  0.622  0.997  1.0
  Li  Li1  1  0.537  0.400  0.144  1.0
  Li  Li2  1  0.947  0.721  0.427  1.0
  Li  Li3  1  0.053  0.279  0.573  1.0
  Li  Li4  1  0.463  0.600  0.856  1.0
  Li  Li5  1  0.181  0.378  0.003  1.0
  Nb  Nb6  1  0.727  0.881  0.669  1.0
  Nb  Nb7  1  0.273  0.119  0.331  1.0
  P  P8  1  0.623  0.907  0.232  1.0
  P  P9  1  0.869  0.151  0.127  1.0
  P  P10  1  0.312  0.608  0.383  1.0
  P  P11  1  0.688  0.392  0.617  1.0
  P  P12  1  0.131  0.849  0.873  1.0
  P  P13  1  0.377  0.093  0.768  1.0
  O  O14  1  0.627  0.693  0.099  1.0
  O  O15  1  0.894  0.391  0.113  1.0
  O  O16  1  0.444  0.946  0.220  1.0
  O  O17  1  0.693  0.130  0.181  1.0
  O  O18  1  0.747  0.903  0.412  1.0
  O  O19  1  0.162  0.040  0.038  1.0
  O  O20  1  0.341  0.422  0.234  1.0
  O  O21  1  0.189  0.769  0.308  1.0
  O  O22  1  0.776  0.541  0.527  1.0
  O  O23  1  0.480  0.739  0.501  1.0
  O  O24  1  0.999  0.902  0.713  1.0
  O  O25  1  0.001  0.098  0.287  1.0
  O  O26  1  0.520  0.261  0.499  1.0
  O  O27  1  0.224  0.459  0.473  1.0
  O  O28  1  0.811  0.231  0.692  1.0
  O  O29  1  0.659  0.578  0.766  1.0
  O  O30  1  0.838  0.960  0.962  1.0
  O  O31  1  0.253  0.097  0.588  1.0
  O  O32  1  0.307  0.870  0.819  1.0
  O  O33  1  0.556  0.054  0.780  1.0
  O  O34  1  0.106  0.609  0.887  1.0
  O  O35  1  0.373  0.307  0.901  1.0
[/CIF]
.
The structure 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 3-coordinate geometry to one O(1), one O(7), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(10), one O(7), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(11), one O(8), and one O(9) atom. Nb(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(4), and one O(6) atom. In the third P site, P(3) is bonded in a 4-coordinate geometry to one O(10), one O(7), one O(8), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Li(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 water-like geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Nb(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-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 bent 120 degrees 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 linear geometry to one Li(3) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), 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 Crystallographic Information File (CIF) [CIF]
data_Li3NbP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.231
_cell_length_b   8.353
_cell_length_c   6.107
_cell_angle_alpha   92.933
_cell_angle_beta   102.237
_cell_angle_gamma   106.824
_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  0.819  0.622  0.997  1.0
  Li  Li1  1  0.537  0.400  0.144  1.0
  Li  Li2  1  0.947  0.721  0.427  1.0
  Li  Li3  1  0.053  0.279  0.573  1.0
  Li  Li4  1  0.463  0.600  0.856  1.0
  Li  Li5  1  0.181  0.378  0.003  1.0
  Nb  Nb6  1  0.727  0.881  0.669  1.0
  Nb  Nb7  1  0.273  0.119  0.331  1.0
  P  P8  1  0.623  0.907  0.232  1.0
  P  P9  1  0.869  0.151  0.127  1.0
  P  P10  1  0.312  0.608  0.383  1.0
  P  P11  1  0.688  0.392  0.617  1.0
  P  P12  1  0.131  0.849  0.873  1.0
  P  P13  1  0.377  0.093  0.768  1.0
  O  O14  1  0.627  0.693  0.099  1.0
  O  O15  1  0.894  0.391  0.113  1.0
  O  O16  1  0.444  0.946  0.220  1.0
  O  O17  1  0.693  0.130  0.181  1.0
  O  O18  1  0.747  0.903  0.412  1.0
  O  O19  1  0.162  0.040  0.038  1.0
  O  O20  1  0.341  0.422  0.234  1.0
  O  O21  1  0.189  0.769  0.308  1.0
  O  O22  1  0.776  0.541  0.527  1.0
  O  O23  1  0.480  0.739  0.501  1.0
  O  O24  1  0.999  0.902  0.713  1.0
  O  O25  1  0.001  0.098  0.287  1.0
  O  O26  1  0.520  0.261  0.499  1.0
  O  O27  1  0.224  0.459  0.473  1.0
  O  O28  1  0.811  0.231  0.692  1.0
  O  O29  1  0.659  0.578  0.766  1.0
  O  O30  1  0.838  0.960  0.962  1.0
  O  O31  1  0.253  0.097  0.588  1.0
  O  O32  1  0.307  0.870  0.819  1.0
  O  O33  1  0.556  0.054  0.780  1.0
  O  O34  1  0.106  0.609  0.887  1.0
  O  O35  1  0.373  0.307  0.901  1.0
[/CIF]
.