ThTi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2) and eight equivalent Ti(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Th(1) and four equivalent Ti(2) atoms. In the second Ti site, Ti(2) is bonded to four equivalent Th(1) and eight equivalent Ti(1) atoms to form a mixture of distorted corner, edge, and face-sharing TiTh4Ti8 cuboctahedra.
ThTi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2) and eight equivalent Ti(1) atoms. All Th(1)-Ti(2) bond lengths are 3.34 Å. All Th(1)-Ti(1) bond lengths are 2.98 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to four equivalent Th(1) and four equivalent Ti(2) atoms. All Ti(1)-Ti(2) bond lengths are 2.98 Å. In the second Ti site, Ti(2) is bonded to four equivalent Th(1) and eight equivalent Ti(1) atoms to form a mixture of distorted corner, edge, and face-sharing TiTh4Ti8 cuboctahedra.