Ti4Al(CuO4)3 crystallizes in the cubic Im-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Al(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 39°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Al(1) is bonded to twelve equivalent O(1) atoms to form AlO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1), one Cu(1), and one Al(1) atom.
Ti4Al(CuO4)3 crystallizes in the cubic Im-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Al(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 39°. All Ti(1)-O(1) bond lengths are 1.97 Å. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 2.00 Å. Al(1) is bonded to twelve equivalent O(1) atoms to form AlO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. All Al(1)-O(1) bond lengths are 2.54 Å. O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1), one Cu(1), and one Al(1) atom.