LiNi2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(10), one O(11), one O(15), one O(16), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(13), one O(16), one O(2), one O(4), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the third P site, P(3) is bonded to one O(16), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-55°. In the fourth P site, P(4) is bonded to one O(12), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the fifth P site, P(5) is bonded to one O(1), one O(11), one O(15), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) 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 P(3) and one P(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom.
LiNi2P5O16 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(10), one O(11), one O(15), one O(16), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. The Li(1)-O(10) bond length is 2.14 Å. The Li(1)-O(11) bond length is 2.51 Å. The Li(1)-O(15) bond length is 2.17 Å. The Li(1)-O(16) bond length is 2.10 Å. The Li(1)-O(9) bond length is 2.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(13), one O(16), one O(2), one O(4), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The Ni(1)-O(10) bond length is 2.14 Å. The Ni(1)-O(13) bond length is 2.01 Å. The Ni(1)-O(16) bond length is 2.08 Å. The Ni(1)-O(2) bond length is 1.99 Å. The Ni(1)-O(4) bond length is 2.07 Å. The Ni(1)-O(7) bond length is 1.99 Å. In the second Ni site, Ni(2) is bonded to one O(11), one O(15), one O(3), one O(5), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Ni(2)-O(11) bond length is 2.11 Å. The Ni(2)-O(15) bond length is 2.06 Å. The Ni(2)-O(3) bond length is 2.00 Å. The Ni(2)-O(5) bond length is 2.00 Å. The Ni(2)-O(6) bond length is 2.07 Å. The Ni(2)-O(9) bond length is 2.09 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-53°. The P(1)-O(10) bond length is 1.52 Å. The P(1)-O(12) bond length is 1.59 Å. The P(1)-O(14) bond length is 1.59 Å. The P(1)-O(7) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(1), one O(13), one O(14), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. The P(2)-O(1) bond length is 1.61 Å. The P(2)-O(13) bond length is 1.50 Å. The P(2)-O(14) bond length is 1.61 Å. The P(2)-O(5) bond length is 1.50 Å. In the third P site, P(3) is bonded to one O(16), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-55°. The P(3)-O(16) bond length is 1.54 Å. The P(3)-O(6) bond length is 1.51 Å. The P(3)-O(8) bond length is 1.64 Å. The P(3)-O(9) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(12), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-46°. The P(4)-O(12) bond length is 1.63 Å. The P(4)-O(2) bond length is 1.53 Å. The P(4)-O(3) bond length is 1.53 Å. The P(4)-O(4) bond length is 1.51 Å. In the fifth P site, P(5) is bonded to one O(1), one O(11), one O(15), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-54°. The P(5)-O(1) bond length is 1.60 Å. The P(5)-O(11) bond length is 1.51 Å. The P(5)-O(15) bond length is 1.52 Å. The P(5)-O(8) bond length is 1.60 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(3) 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 P(3) and one P(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Ni(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Ni(2), and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Ni(1), and one P(3) atom.