Li2Ni5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to two equivalent O(3) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(8) atom. In the second P site, P(2) is bonded in a distorted water-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ni(3) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ni(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ni(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom.
Li2Ni5(PO4)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(4) bond length is 2.24 Å. The Li(1)-O(5) bond length is 1.72 Å. The Li(1)-O(6) bond length is 2.22 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(7) atom. The Ni(1)-O(1) bond length is 2.05 Å. The Ni(1)-O(3) bond length is 1.99 Å. The Ni(1)-O(4) bond length is 2.13 Å. The Ni(1)-O(7) bond length is 2.14 Å. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to two equivalent O(3) atoms. Both Ni(2)-O(3) bond lengths are 1.85 Å. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(8) atom. The Ni(3)-O(2) bond length is 1.75 Å. The Ni(3)-O(5) bond length is 2.32 Å. The Ni(3)-O(8) bond length is 1.48 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(8) atom. The P(1)-O(3) bond length is 1.44 Å. The P(1)-O(4) bond length is 2.37 Å. The P(1)-O(5) bond length is 1.62 Å. The P(1)-O(8) bond length is 1.46 Å. In the second P site, P(2) is bonded in a distorted water-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. The P(2)-O(1) bond length is 2.12 Å. The P(2)-O(2) bond length is 1.98 Å. The P(2)-O(6) bond length is 1.27 Å. The P(2)-O(7) bond length is 1.42 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ni(3) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Ni(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ni(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom.