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.
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. The Li(1)-O(19) bond length is 2.09 Å. The Li(1)-O(2) bond length is 2.08 Å. The Li(1)-O(21) bond length is 2.45 Å. The Li(1)-O(24) bond length is 2.07 Å. The Li(1)-O(3) bond length is 2.44 Å. The Li(1)-O(6) bond length is 2.06 Å. 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. The Li(2)-O(1) bond length is 2.11 Å. The Li(2)-O(20) bond length is 2.06 Å. The Li(2)-O(22) bond length is 2.42 Å. The Li(2)-O(23) bond length is 2.04 Å. The Li(2)-O(4) bond length is 2.41 Å. The Li(2)-O(5) bond length is 2.14 Å. 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. The Li(3)-O(10) bond length is 2.38 Å. The Li(3)-O(12) bond length is 2.10 Å. The Li(3)-O(13) bond length is 2.10 Å. The Li(3)-O(16) bond length is 2.38 Å. The Li(3)-O(17) bond length is 2.08 Å. The Li(3)-O(7) bond length is 2.11 Å. 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. The Li(4)-O(11) bond length is 2.07 Å. The Li(4)-O(14) bond length is 2.15 Å. The Li(4)-O(15) bond length is 2.42 Å. The Li(4)-O(18) bond length is 2.12 Å. The Li(4)-O(8) bond length is 2.03 Å. The Li(4)-O(9) bond length is 2.41 Å. 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. The Ni(1)-O(1) bond length is 2.09 Å. The Ni(1)-O(11) bond length is 2.53 Å. The Ni(1)-O(12) bond length is 2.56 Å. The Ni(1)-O(2) bond length is 2.08 Å. The Ni(1)-O(5) bond length is 2.18 Å. The Ni(1)-O(6) bond length is 2.22 Å. The Ni(1)-O(7) bond length is 2.41 Å. The Ni(1)-O(8) bond length is 2.47 Å. 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. The Ni(2)-O(13) bond length is 2.47 Å. The Ni(2)-O(14) bond length is 2.24 Å. The Ni(2)-O(17) bond length is 2.60 Å. The Ni(2)-O(18) bond length is 2.12 Å. The Ni(2)-O(19) bond length is 2.06 Å. The Ni(2)-O(20) bond length is 2.50 Å. The Ni(2)-O(23) bond length is 2.38 Å. The Ni(2)-O(24) bond length is 2.15 Å. 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°. The P(1)-O(23) bond length is 1.49 Å. The P(1)-O(24) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.63 Å. The P(1)-O(4) bond length is 1.62 Å. 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°. The P(2)-O(10) bond length is 1.63 Å. The P(2)-O(4) bond length is 1.64 Å. The P(2)-O(5) bond length is 1.51 Å. The P(2)-O(7) bond length is 1.49 Å. 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°. The P(3)-O(3) bond length is 1.64 Å. The P(3)-O(6) bond length is 1.50 Å. The P(3)-O(8) bond length is 1.49 Å. The P(3)-O(9) bond length is 1.62 Å. 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°. The P(4)-O(10) bond length is 1.64 Å. The P(4)-O(13) bond length is 1.49 Å. The P(4)-O(14) bond length is 1.50 Å. The P(4)-O(9) bond length is 1.64 Å. 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°. The P(5)-O(11) bond length is 1.49 Å. The P(5)-O(12) bond length is 1.49 Å. The P(5)-O(15) bond length is 1.66 Å. The P(5)-O(16) bond length is 1.63 Å. 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°. The P(6)-O(15) bond length is 1.60 Å. The P(6)-O(18) bond length is 1.50 Å. The P(6)-O(19) bond length is 1.50 Å. The P(6)-O(21) bond length is 1.63 Å. 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°. The P(7)-O(16) bond length is 1.63 Å. The P(7)-O(17) bond length is 1.49 Å. The P(7)-O(20) bond length is 1.49 Å. The P(7)-O(22) bond length is 1.66 Å. 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°. The P(8)-O(1) bond length is 1.50 Å. The P(8)-O(2) bond length is 1.50 Å. The P(8)-O(21) bond length is 1.63 Å. The P(8)-O(22) bond length is 1.60 Å. 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.