NaTi4(CuO4)3 crystallizes in the cubic Im-3 space group. Na(1) is bonded to twelve equivalent O(1) atoms to form NaO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. 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 Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Ti(1), and one Cu(1) atom.
NaTi4(CuO4)3 crystallizes in the cubic Im-3 space group. Na(1) is bonded to twelve equivalent O(1) atoms to form NaO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. All Na(1)-O(1) bond lengths are 2.65 Å. 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 Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Ti(1)-O(1) bond lengths are 1.98 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 1.93 Å. O(1) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Ti(1), and one Cu(1) atom.