Li2Ni(PO3)5 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a T-shaped geometry to one O(10), one O(2), and one O(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(10), one O(14), and one O(8) atom. Ni(1) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(15), and one O(7) atom. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(15), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the fifth P site, P(5) is bonded to one O(12), one O(13), one O(14), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ni(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Li(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom.
Li2Ni(PO3)5 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a T-shaped geometry to one O(10), one O(2), and one O(5) atom. The Li(1)-O(10) bond length is 1.99 Å. The Li(1)-O(2) bond length is 1.90 Å. The Li(1)-O(5) bond length is 1.93 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(10), one O(14), and one O(8) atom. The Li(2)-O(10) bond length is 1.88 Å. The Li(2)-O(14) bond length is 2.02 Å. The Li(2)-O(8) bond length is 1.87 Å. Ni(1) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(15), and one O(7) atom. The Ni(1)-O(1) bond length is 2.03 Å. The Ni(1)-O(12) bond length is 2.07 Å. The Ni(1)-O(15) bond length is 2.00 Å. The Ni(1)-O(7) bond length is 1.94 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(15), and one O(6) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(11) bond length is 1.60 Å. The P(1)-O(13) bond length is 1.61 Å. The P(1)-O(15) bond length is 1.51 Å. The P(1)-O(6) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(2) bond length is 1.49 Å. The P(2)-O(3) bond length is 1.57 Å. The P(2)-O(4) bond length is 1.60 Å. The P(2)-O(8) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form corner-sharing PO4 tetrahedra. The P(3)-O(1) bond length is 1.49 Å. The P(3)-O(4) bond length is 1.64 Å. The P(3)-O(5) bond length is 1.51 Å. The P(3)-O(9) bond length is 1.61 Å. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(4)-O(10) bond length is 1.49 Å. The P(4)-O(11) bond length is 1.60 Å. The P(4)-O(3) bond length is 1.59 Å. The P(4)-O(7) bond length is 1.49 Å. In the fifth P site, P(5) is bonded to one O(12), one O(13), one O(14), and one O(9) atom to form corner-sharing PO4 tetrahedra. The P(5)-O(12) bond length is 1.51 Å. The P(5)-O(13) bond length is 1.62 Å. The P(5)-O(14) bond length is 1.50 Å. The P(5)-O(9) bond length is 1.62 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ni(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Li(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom.