The crystal structure described by Li2Ni(PO3)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(19), one O(2), one O(21), one O(24), one O(3), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(20), one O(22), one O(23), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(13), one O(16), one O(17), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(11), one O(14), one O(15), one O(18), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one O(13), one O(14), one O(17), one O(18), one O(19), one O(20), one O(23), and one O(24) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(24), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-73°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-73°. In the third P site, P(3) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-74°. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(14), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-74°. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(15), and one O(16) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-75°. In the sixth P site, P(6) is bonded to one O(15), one O(18), one O(19), and one O(21) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-71°. In the seventh P site, P(7) is bonded to one O(16), one O(17), one O(20), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-75°. In the eighth P site, P(8) is bonded to one O(1), one O(2), one O(21), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-72°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one P(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(8) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar 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(2), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(4), one Ni(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one P(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one P(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Li(4), one Ni(1), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Li(3), one Ni(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Ni(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one P(5), and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one P(5), and one P(7) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Li(3), one Ni(2), and one P(7) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(4), one Ni(2), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Li(2), one Ni(2), and one P(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(6), and one P(8) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one P(7), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Ni(2), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.633
_cell_length_b   9.306
_cell_length_c   9.321
_cell_angle_alpha   90.011
_cell_angle_beta   90.857
_cell_angle_gamma   90.687
_symmetry_Int_Tables_number   1
_cell_volume   401.773
_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  0.501  0.003  0.002  1.0
  Li  Li1  1  0.500  0.997  0.496  1.0
  Li  Li2  1  0.500  0.502  0.501  1.0
  Li  Li3  1  0.500  0.496  0.997  1.0
  Ni  Ni4  1  0.501  0.221  0.748  1.0
  Ni  Ni5  1  0.502  0.756  0.221  1.0
  P  P6  1  0.998  0.026  0.252  1.0
  P  P7  1  0.004  0.252  0.475  1.0
  P  P8  1  0.996  0.252  0.026  1.0
  P  P9  1  0.003  0.475  0.252  1.0
  P  P10  1  0.998  0.525  0.749  1.0
  P  P11  1  0.002  0.749  0.974  1.0
  P  P12  1  0.997  0.749  0.526  1.0
  P  P13  1  0.001  0.974  0.750  1.0
  O  O14  1  0.754  0.050  0.679  1.0
  O  O15  1  0.246  0.053  0.823  1.0
  O  O16  1  0.140  0.134  0.135  1.0
  O  O17  1  0.853  0.135  0.366  1.0
  O  O18  1  0.248  0.179  0.553  1.0
  O  O19  1  0.750  0.179  0.948  1.0
  O  O20  1  0.759  0.322  0.549  1.0
  O  O21  1  0.243  0.323  0.953  1.0
  O  O22  1  0.851  0.365  0.136  1.0
  O  O23  1  0.157  0.364  0.364  1.0
  O  O24  1  0.755  0.451  0.824  1.0
  O  O25  1  0.243  0.453  0.679  1.0
  O  O26  1  0.759  0.548  0.323  1.0
  O  O27  1  0.247  0.553  0.180  1.0
  O  O28  1  0.149  0.638  0.867  1.0
  O  O29  1  0.846  0.637  0.638  1.0
  O  O30  1  0.243  0.678  0.455  1.0
  O  O31  1  0.755  0.679  0.051  1.0
  O  O32  1  0.247  0.824  0.052  1.0
  O  O33  1  0.755  0.823  0.450  1.0
  O  O34  1  0.856  0.867  0.867  1.0
  O  O35  1  0.147  0.867  0.638  1.0
  O  O36  1  0.244  0.951  0.323  1.0
  O  O37  1  0.750  0.948  0.179  1.0
[/CIF]
.
The crystal structure described by Li2Ni(PO3)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(19), one O(2), one O(21), one O(24), one O(3), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(20), one O(22), one O(23), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(13), one O(16), one O(17), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(11), one O(14), one O(15), one O(18), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to one O(13), one O(14), one O(17), one O(18), one O(19), one O(20), one O(23), and one O(24) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(23), one O(24), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-73°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-73°. In the third P site, P(3) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-74°. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(14), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-74°. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(15), and one O(16) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-75°. In the sixth P site, P(6) is bonded to one O(15), one O(18), one O(19), and one O(21) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-71°. In the seventh P site, P(7) is bonded to one O(16), one O(17), one O(20), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-75°. In the eighth P site, P(8) is bonded to one O(1), one O(2), one O(21), and one O(22) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-72°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one P(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(8) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar 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(2), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Ni(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(4), one Ni(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one P(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one P(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Li(4), one Ni(1), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Li(3), one Ni(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Ni(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Ni(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one P(5), and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one P(5), and one P(7) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Li(3), one Ni(2), and one P(7) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(4), one Ni(2), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 2-coordinate geometry to one Li(2), one Ni(2), and one P(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(6), and one P(8) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one P(7), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Ni(2), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Ni(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.633
_cell_length_b   9.306
_cell_length_c   9.321
_cell_angle_alpha   90.011
_cell_angle_beta   90.857
_cell_angle_gamma   90.687
_symmetry_Int_Tables_number   1
_cell_volume   401.773
_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  0.501  0.003  0.002  1.0
  Li  Li1  1  0.500  0.997  0.496  1.0
  Li  Li2  1  0.500  0.502  0.501  1.0
  Li  Li3  1  0.500  0.496  0.997  1.0
  Ni  Ni4  1  0.501  0.221  0.748  1.0
  Ni  Ni5  1  0.502  0.756  0.221  1.0
  P  P6  1  0.998  0.026  0.252  1.0
  P  P7  1  0.004  0.252  0.475  1.0
  P  P8  1  0.996  0.252  0.026  1.0
  P  P9  1  0.003  0.475  0.252  1.0
  P  P10  1  0.998  0.525  0.749  1.0
  P  P11  1  0.002  0.749  0.974  1.0
  P  P12  1  0.997  0.749  0.526  1.0
  P  P13  1  0.001  0.974  0.750  1.0
  O  O14  1  0.754  0.050  0.679  1.0
  O  O15  1  0.246  0.053  0.823  1.0
  O  O16  1  0.140  0.134  0.135  1.0
  O  O17  1  0.853  0.135  0.366  1.0
  O  O18  1  0.248  0.179  0.553  1.0
  O  O19  1  0.750  0.179  0.948  1.0
  O  O20  1  0.759  0.322  0.549  1.0
  O  O21  1  0.243  0.323  0.953  1.0
  O  O22  1  0.851  0.365  0.136  1.0
  O  O23  1  0.157  0.364  0.364  1.0
  O  O24  1  0.755  0.451  0.824  1.0
  O  O25  1  0.243  0.453  0.679  1.0
  O  O26  1  0.759  0.548  0.323  1.0
  O  O27  1  0.247  0.553  0.180  1.0
  O  O28  1  0.149  0.638  0.867  1.0
  O  O29  1  0.846  0.637  0.638  1.0
  O  O30  1  0.243  0.678  0.455  1.0
  O  O31  1  0.755  0.679  0.051  1.0
  O  O32  1  0.247  0.824  0.052  1.0
  O  O33  1  0.755  0.823  0.450  1.0
  O  O34  1  0.856  0.867  0.867  1.0
  O  O35  1  0.147  0.867  0.638  1.0
  O  O36  1  0.244  0.951  0.323  1.0
  O  O37  1  0.750  0.948  0.179  1.0
[/CIF]
.