Si(Ti2) is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to four equivalent Ti(2) and four equivalent Si(1) atoms. In the second Ti site, Ti(2) is bonded in a distorted q6 geometry to four equivalent Ti(1) and six equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1) and six equivalent Ti(2) atoms.
Si(Ti2) is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a body-centered cubic geometry to four equivalent Ti(2) and four equivalent Si(1) atoms. All Ti(1)-Ti(2) bond lengths are 2.66 Å. All Ti(1)-Si(1) bond lengths are 2.66 Å. In the second Ti site, Ti(2) is bonded in a distorted q6 geometry to four equivalent Ti(1) and six equivalent Si(1) atoms. All Ti(2)-Si(1) bond lengths are 3.07 Å. Si(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1) and six equivalent Ti(2) atoms.