ScHfSi2 crystallizes in the orthorhombic Amm2 space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. Hf(1) is bonded in a 7-coordinate geometry to three equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), three equivalent Hf(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), four equivalent Hf(1), and two equivalent Si(1) atoms.
ScHfSi2 crystallizes in the orthorhombic Amm2 space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent Si(2) and four equivalent Si(1) atoms. There is one shorter (2.70 Å) and two longer (2.92 Å) Sc(1)-Si(2) bond lengths. All Sc(1)-Si(1) bond lengths are 2.73 Å. Hf(1) is bonded in a 7-coordinate geometry to three equivalent Si(1) and four equivalent Si(2) atoms. There is one shorter (2.74 Å) and two longer (2.90 Å) Hf(1)-Si(1) bond lengths. All Hf(1)-Si(2) bond lengths are 2.72 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), three equivalent Hf(1), and two equivalent Si(2) atoms. Both Si(1)-Si(2) bond lengths are 2.45 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), four equivalent Hf(1), and two equivalent Si(1) atoms.