Ti5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1) and six equivalent Si(1) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1) and five equivalent Ti(2) atoms.
Ti5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1) and six equivalent Si(1) atoms. Both Ti(1)-Ti(1) bond lengths are 2.56 Å. All Ti(1)-Si(1) bond lengths are 2.63 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. There are a spread of Ti(2)-Si(1) bond distances ranging from 2.56-2.77 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1) and five equivalent Ti(2) atoms.