Li2BaNiO3 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. Ba(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Ni(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1), one Ba(1), and one Ni(1) atom to form distorted edge-sharing OBaLi4Ni octahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), and one Ni(1) atom.
Li2BaNiO3 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. There is one shorter (1.96 Å) and one longer (2.25 Å) Li(1)-O(1) bond length. There is one shorter (2.00 Å) and one longer (2.03 Å) Li(1)-O(2) bond length. Ba(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The Ba(1)-O(1) bond length is 2.54 Å. There are two shorter (2.72 Å) and two longer (2.84 Å) Ba(1)-O(2) bond lengths. Ni(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. The Ni(1)-O(1) bond length is 1.89 Å. Both Ni(1)-O(2) bond lengths are 1.86 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1), one Ba(1), and one Ni(1) atom to form distorted edge-sharing OBaLi4Ni octahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), and one Ni(1) atom.