ScV4Si3 crystallizes in the orthorhombic Amm2 space group. Sc(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(3), and four equivalent V(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(4), and four equivalent V(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(4), two equivalent V(3), and four equivalent V(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one V(4), two equivalent V(2), two equivalent V(3), and four equivalent V(1) atoms.
ScV4Si3 crystallizes in the orthorhombic Amm2 space group. Sc(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. The Sc(1)-Si(2) bond length is 2.62 Å. There is one shorter (2.58 Å) and one longer (2.69 Å) Sc(1)-Si(1) bond length. Both Sc(1)-Si(3) bond lengths are 2.75 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. The V(1)-Si(2) bond length is 2.52 Å. The V(1)-Si(4) bond length is 2.56 Å. There is one shorter (2.55 Å) and one longer (2.57 Å) V(1)-Si(1) bond length. There is one shorter (2.55 Å) and one longer (2.58 Å) V(1)-Si(3) bond length. In the second V site, V(2) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. The V(2)-Si(2) bond length is 2.47 Å. Both V(2)-Si(1) bond lengths are 2.49 Å. Both V(2)-Si(4) bond lengths are 2.66 Å. In the third V site, V(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. The V(3)-Si(4) bond length is 2.49 Å. Both V(3)-Si(1) bond lengths are 2.71 Å. Both V(3)-Si(3) bond lengths are 2.60 Å. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. The V(4)-Si(4) bond length is 2.50 Å. Both V(4)-Si(2) bond lengths are 2.67 Å. Both V(4)-Si(3) bond lengths are 2.52 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(3), and four equivalent V(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(2), two equivalent V(4), and four equivalent V(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one V(4), two equivalent V(3), and four equivalent V(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one V(4), two equivalent V(2), two equivalent V(3), and four equivalent V(1) atoms.