Li2(NiO2)3 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids.
Li2(NiO2)3 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There is one shorter (2.02 Å) and one longer (2.12 Å) Li(1)-O(2) bond length. There is one shorter (1.98 Å) and one longer (2.02 Å) Li(1)-O(3) bond length. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. Both Ni(1)-O(1) bond lengths are 1.90 Å. Both Ni(1)-O(2) bond lengths are 2.02 Å. Both Ni(1)-O(3) bond lengths are 2.01 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. Both Ni(2)-O(1) bond lengths are 1.89 Å. Both Ni(2)-O(2) bond lengths are 1.91 Å. Both Ni(2)-O(3) bond lengths are 1.87 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NiO6 octahedra. Both Ni(3)-O(1) bond lengths are 1.90 Å. Both Ni(3)-O(2) bond lengths are 1.93 Å. Both Ni(3)-O(3) bond lengths are 2.07 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi2Ni3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids.