LiNi(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(6), one O(7), and one O(9) atom. Ni(1) is bonded to one O(14), one O(15), one O(5), one O(6), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Ni(1)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(1), one O(15), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(13), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a 2-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 distorted bent 150 degrees geometry to one Li(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Li(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom.
LiNi(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(6), one O(7), and one O(9) atom. The Li(1)-O(10) bond length is 2.04 Å. The Li(1)-O(11) bond length is 2.61 Å. The Li(1)-O(3) bond length is 2.64 Å. The Li(1)-O(6) bond length is 2.59 Å. The Li(1)-O(7) bond length is 2.05 Å. The Li(1)-O(9) bond length is 2.29 Å. Ni(1) is bonded to one O(14), one O(15), one O(5), one O(6), and one O(9) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Ni(1)-O(14) bond length is 2.10 Å. The Ni(1)-O(15) bond length is 2.03 Å. The Ni(1)-O(5) bond length is 1.93 Å. The Ni(1)-O(6) bond length is 1.95 Å. The Ni(1)-O(9) bond length is 2.22 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. The P(1)-O(1) bond length is 1.62 Å. The P(1)-O(14) bond length is 1.50 Å. The P(1)-O(2) bond length is 1.63 Å. The P(1)-O(9) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(3) bond length is 1.51 Å. The P(2)-O(4) bond length is 1.59 Å. The P(2)-O(7) bond length is 1.51 Å. The P(2)-O(8) bond length is 1.61 Å. In the third P site, P(3) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Ni(1)O5 trigonal bipyramid. The P(3)-O(10) bond length is 1.50 Å. The P(3)-O(13) bond length is 1.62 Å. The P(3)-O(2) bond length is 1.61 Å. The P(3)-O(6) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one O(1), one O(15), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. The P(4)-O(1) bond length is 1.61 Å. The P(4)-O(15) bond length is 1.49 Å. The P(4)-O(4) bond length is 1.61 Å. The P(4)-O(5) bond length is 1.50 Å. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(13), and one O(8) atom to form corner-sharing PO4 tetrahedra. The P(5)-O(11) bond length is 1.51 Å. The P(5)-O(12) bond length is 1.51 Å. The P(5)-O(13) bond length is 1.61 Å. The P(5)-O(8) bond length is 1.61 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a 2-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 distorted bent 150 degrees geometry to one Li(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Li(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom.