Sc3IrSi3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to three equivalent Ir(1), two equivalent Si(2), two equivalent Si(3), and three equivalent Si(1) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. In the third Sc site, Sc(3) is bonded in a 9-coordinate geometry to three equivalent Ir(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. Ir(1) is bonded in a 4-coordinate geometry to three equivalent Sc(1), three equivalent Sc(3), one Si(2), one Si(3), and two equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Sc(3), three equivalent Sc(1), two equivalent Ir(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ir(1), one Si(1), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), three equivalent Sc(2), one Ir(1), and one Si(2) atom.
Sc3IrSi3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to three equivalent Ir(1), two equivalent Si(2), two equivalent Si(3), and three equivalent Si(1) atoms. There is one shorter (3.00 Å) and two longer (3.06 Å) Sc(1)-Ir(1) bond lengths. Both Sc(1)-Si(2) bond lengths are 2.89 Å. Both Sc(1)-Si(3) bond lengths are 2.87 Å. There is one shorter (2.70 Å) and two longer (2.96 Å) Sc(1)-Si(1) bond lengths. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(2), and three equivalent Si(3) atoms. The Sc(2)-Si(1) bond length is 2.73 Å. Both Sc(2)-Si(2) bond lengths are 2.75 Å. There is one shorter (2.86 Å) and two longer (2.89 Å) Sc(2)-Si(3) bond lengths. In the third Sc site, Sc(3) is bonded in a 9-coordinate geometry to three equivalent Ir(1), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There is one shorter (3.10 Å) and two longer (3.12 Å) Sc(3)-Ir(1) bond lengths. Both Sc(3)-Si(1) bond lengths are 2.88 Å. Both Sc(3)-Si(2) bond lengths are 2.77 Å. Both Sc(3)-Si(3) bond lengths are 2.74 Å. Ir(1) is bonded in a 4-coordinate geometry to three equivalent Sc(1), three equivalent Sc(3), one Si(2), one Si(3), and two equivalent Si(1) atoms. The Ir(1)-Si(2) bond length is 2.40 Å. The Ir(1)-Si(3) bond length is 2.52 Å. Both Ir(1)-Si(1) bond lengths are 2.39 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Sc(3), three equivalent Sc(1), two equivalent Ir(1), 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 two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ir(1), one Si(1), and one Si(3) atom. The Si(2)-Si(3) bond length is 2.44 Å. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), three equivalent Sc(2), one Ir(1), and one Si(2) atom.