LiNi2(PO4)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), one O(16), one O(2), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Ni(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(2)O4 tetrahedra,  a cornercorner with one Ni(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(12), one O(13), and one O(15) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the fourth Ni site, Ni(4) is bonded to one O(14), one O(16), one O(2), and one O(3) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)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(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one Ni(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Ni(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(4)O4 tetrahedra, and corners with two equivalent Ni(2)O4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(12), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, and corners with two equivalent Ni(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Ni(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(4), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(4) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Ni(4), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Ni(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Ni(4), and one P(4) atom.
LiNi2(PO4)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), one O(16), one O(2), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Ni(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Li(1)-O(15) bond length is 2.08 Å. The Li(1)-O(16) bond length is 1.98 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(4) bond length is 1.97 Å. In the second Li site, Li(2) is bonded to one O(11), one O(14), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(2)O4 tetrahedra,  a cornercorner with one Ni(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. The Li(2)-O(11) bond length is 2.00 Å. The Li(2)-O(14) bond length is 1.98 Å. The Li(2)-O(5) bond length is 1.99 Å. The Li(2)-O(9) bond length is 1.94 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The Ni(1)-O(4) bond length is 2.01 Å. The Ni(1)-O(5) bond length is 1.96 Å. The Ni(1)-O(7) bond length is 1.95 Å. The Ni(1)-O(9) bond length is 1.99 Å. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Ni(2)-O(10) bond length is 1.85 Å. The Ni(2)-O(11) bond length is 1.89 Å. The Ni(2)-O(6) bond length is 1.83 Å. The Ni(2)-O(8) bond length is 1.84 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(12), one O(13), and one O(15) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Ni(3)-O(1) bond length is 1.84 Å. The Ni(3)-O(12) bond length is 1.86 Å. The Ni(3)-O(13) bond length is 1.85 Å. The Ni(3)-O(15) bond length is 1.90 Å. In the fourth Ni site, Ni(4) is bonded to one O(14), one O(16), one O(2), and one O(3) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Ni(4)-O(14) bond length is 2.03 Å. The Ni(4)-O(16) bond length is 1.99 Å. The Ni(4)-O(2) bond length is 1.95 Å. The Ni(4)-O(3) bond length is 1.93 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O4 tetrahedra,  a cornercorner with one Ni(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Ni(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(4)O4 tetrahedra, and corners with two equivalent Ni(2)O4 tetrahedra. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(10), one O(12), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, and corners with two equivalent Ni(3)O4 tetrahedra. The P(3)-O(10) bond length is 1.54 Å. The P(3)-O(12) bond length is 1.56 Å. The P(3)-O(15) bond length is 1.57 Å. The P(3)-O(9) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra,  a cornercorner with one Ni(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Ni(4)O4 tetrahedra. The P(4)-O(11) bond length is 1.57 Å. The P(4)-O(13) bond length is 1.54 Å. The P(4)-O(14) bond length is 1.54 Å. The P(4)-O(16) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(4), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(4) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Ni(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Li(2), one Ni(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ni(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Ni(4), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Ni(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Ni(4), and one P(4) atom.