AlSi3Ti2 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. Al(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Al(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), and two equivalent Si(2) atoms.
AlSi3Ti2 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. Both Ti(1)-Al(1) bond lengths are 2.75 Å. Both Ti(1)-Si(1) bond lengths are 2.71 Å. Both Ti(1)-Si(2) bond lengths are 2.80 Å. All Ti(1)-Si(3) bond lengths are 2.59 Å. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. Both Ti(2)-Al(1) bond lengths are 2.72 Å. Both Ti(2)-Si(1) bond lengths are 2.77 Å. Both Ti(2)-Si(3) bond lengths are 2.79 Å. All Ti(2)-Si(2) bond lengths are 2.59 Å. Al(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Si(1) atoms. All Al(1)-Si(1) bond lengths are 2.55 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), and four equivalent Al(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent Si(3) atoms. Both Si(2)-Si(3) bond lengths are 2.44 Å. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), and two equivalent Si(2) atoms.