Li2Co(NiO3)2 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. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. There are two 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 NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(2)O6 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 NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 trigonal bipyramids.
Li2Co(NiO3)2 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. Both Li(1)-O(2) bond lengths are 1.98 Å. There is one shorter (1.98 Å) and one longer (2.12 Å) Li(1)-O(3) bond length. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. Both Co(1)-O(1) bond lengths are 1.89 Å. Both Co(1)-O(2) bond lengths are 1.91 Å. Both Co(1)-O(3) bond lengths are 1.93 Å. There are two 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 NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(2)O6 octahedra. Both Ni(1)-O(1) bond lengths are 1.87 Å. Both Ni(1)-O(2) bond lengths are 2.06 Å. Both Ni(1)-O(3) bond lengths are 1.91 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 NiO6 octahedra that share edges with three equivalent Co(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. Both Ni(2)-O(1) bond lengths are 1.87 Å. Both Ni(2)-O(2) bond lengths are 1.86 Å. Both Ni(2)-O(3) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and one Ni(2) atom to form a mixture of distorted corner and edge-sharing OLi2CoNi2 trigonal bipyramids.