Sc2V3Si4 crystallizes in the tetragonal P4_12_12 space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form distorted corner-sharing VSi6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second V site, V(2) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three 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 three equivalent Sc(1), two equivalent V(1), three equivalent V(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one V(1), three equivalent V(2), and one Si(1) atom.
Sc2V3Si4 crystallizes in the tetragonal P4_12_12 space group. Sc(1) is bonded in a 7-coordinate geometry to three equivalent Si(1) and four equivalent Si(2) atoms. There are a spread of Sc(1)-Si(1) bond distances ranging from 2.69-2.78 Å. There are a spread of Sc(1)-Si(2) bond distances ranging from 2.67-2.86 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent Si(2) and four equivalent Si(1) atoms to form distorted corner-sharing VSi6 octahedra. The corner-sharing octahedral tilt angles are 52°. Both V(1)-Si(2) bond lengths are 2.62 Å. There are two shorter (2.56 Å) and two longer (2.59 Å) V(1)-Si(1) bond lengths. In the second V site, V(2) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Si(2) atoms. There are a spread of V(2)-Si(1) bond distances ranging from 2.42-2.52 Å. There are a spread of V(2)-Si(2) bond distances ranging from 2.45-2.56 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), two equivalent V(1), three equivalent V(2), and one Si(2) atom. The Si(1)-Si(2) bond length is 2.41 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one V(1), three equivalent V(2), and one Si(1) atom.