Ti4Cu2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Cu(1) and two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ti(2), six equivalent Ti(1), and three equivalent Cu(1) atoms. O(1) is bonded to six equivalent Ti(1) atoms to form corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles are 37°.
Ti4Cu2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Cu(1) and two equivalent O(1) atoms. There are two shorter (2.68 Å) and two longer (2.97 Å) Ti(1)-Cu(1) bond lengths. Both Ti(1)-O(1) bond lengths are 2.12 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to six equivalent Cu(1) atoms. All Ti(2)-Cu(1) bond lengths are 2.47 Å. Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ti(2), six equivalent Ti(1), and three equivalent Cu(1) atoms. All Cu(1)-Cu(1) bond lengths are 2.71 Å. O(1) is bonded to six equivalent Ti(1) atoms to form corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles are 37°.