Li2(NiO2)5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Ni(2), and two equivalent Ni(3) atoms to form distorted edge-sharing OLiNi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom.
Li2(NiO2)5 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(2) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(4) bond length is 1.92 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing NiO6 octahedra. Both Ni(1)-O(2) bond lengths are 1.88 Å. Both Ni(1)-O(3) bond lengths are 1.88 Å. Both Ni(1)-O(5) bond lengths are 1.88 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. The Ni(2)-O(1) bond length is 1.97 Å. The Ni(2)-O(2) bond length is 2.06 Å. The Ni(2)-O(4) bond length is 1.88 Å. The Ni(2)-O(5) bond length is 2.03 Å. There is one shorter (1.86 Å) and one longer (1.97 Å) Ni(2)-O(3) bond length. In the third Ni site, Ni(3) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form edge-sharing NiO6 octahedra. The Ni(3)-O(2) bond length is 1.87 Å. The Ni(3)-O(5) bond length is 1.85 Å. There is one shorter (1.88 Å) and one longer (1.90 Å) Ni(3)-O(1) bond length. There is one shorter (1.90 Å) and one longer (1.92 Å) Ni(3)-O(4) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Ni(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Ni(2), and two equivalent Ni(3) atoms to form distorted edge-sharing OLiNi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom.