LiSc2Al2(CO)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sc(2) and two equivalent O(1) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent C(1) atoms to form distorted ScC6 octahedra that share corners with six equivalent Al(1)C3O tetrahedra, edges with six equivalent Sc(1)C6 octahedra, and edges with six equivalent Al(1)C3O tetrahedra. In the second Sc site, Sc(2) is bonded in a distorted square co-planar geometry to two equivalent Li(1) and two equivalent O(1) atoms. Al(1) is bonded to three equivalent C(1) and one O(1) atom to form distorted AlC3O tetrahedra that share corners with three equivalent Sc(1)C6 octahedra, corners with six equivalent Al(1)C3O tetrahedra, and edges with three equivalent Sc(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. C(1) is bonded to three equivalent Sc(1) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing CSc3Al3 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sc(2), and one Al(1) atom.
LiSc2Al2(CO)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sc(2) and two equivalent O(1) atoms. Both Li(1)-Sc(2) bond lengths are 1.88 Å. Both Li(1)-O(1) bond lengths are 1.65 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent C(1) atoms to form distorted ScC6 octahedra that share corners with six equivalent Al(1)C3O tetrahedra, edges with six equivalent Sc(1)C6 octahedra, and edges with six equivalent Al(1)C3O tetrahedra. There are two shorter (2.33 Å) and four longer (2.59 Å) Sc(1)-C(1) bond lengths. In the second Sc site, Sc(2) is bonded in a distorted square co-planar geometry to two equivalent Li(1) and two equivalent O(1) atoms. Both Sc(2)-O(1) bond lengths are 2.07 Å. Al(1) is bonded to three equivalent C(1) and one O(1) atom to form distorted AlC3O tetrahedra that share corners with three equivalent Sc(1)C6 octahedra, corners with six equivalent Al(1)C3O tetrahedra, and edges with three equivalent Sc(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. There is one shorter (2.03 Å) and two longer (2.21 Å) Al(1)-C(1) bond lengths. The Al(1)-O(1) bond length is 1.84 Å. C(1) is bonded to three equivalent Sc(1) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing CSc3Al3 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sc(2), and one Al(1) atom.