LiBa2(NiO2)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Ba(1) is bonded in a 4-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to one Li(1), three equivalent Ba(1), one Ni(1), and one Ni(2) atom.
LiBa2(NiO2)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 2.03 Å. Ba(1) is bonded in a 4-coordinate geometry to six equivalent O(1) atoms. There are a spread of Ba(1)-O(1) bond distances ranging from 2.58-3.06 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Ni(1)-O(1) bond lengths are 2.10 Å. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Ni(2)-O(1) bond lengths are 1.91 Å. O(1) is bonded in a 6-coordinate geometry to one Li(1), three equivalent Ba(1), one Ni(1), and one Ni(2) atom.