Li2(NiO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids.
Li2(NiO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two shorter (2.04 Å) and two longer (2.08 Å) Li(1)-O(2) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. Both Ni(1)-O(1) bond lengths are 1.91 Å. All Ni(1)-O(2) bond lengths are 1.99 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. Both Ni(2)-O(1) bond lengths are 1.92 Å. There are two shorter (1.89 Å) and two longer (1.96 Å) Ni(2)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Ni(1), and two equivalent Ni(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Ni3 trigonal bipyramids.