Y5Sc5Si6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to one Si(1), 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 Y(1), two equivalent Y(2), one Sc(2), and four equivalent Sc(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Sc(2), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(3), two equivalent Sc(2), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(1), two equivalent Y(3), and four equivalent Sc(1) atoms.
Y5Sc5Si6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(4) atoms. The Y(1)-Si(1) bond length is 2.91 Å. There is one shorter (2.87 Å) and one longer (2.98 Å) Y(1)-Si(2) bond length. Both Y(1)-Si(4) bond lengths are 3.26 Å. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. The Y(2)-Si(3) bond length is 2.91 Å. Both Y(2)-Si(1) bond lengths are 3.27 Å. Both Y(2)-Si(4) bond lengths are 2.87 Å. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. The Y(3)-Si(3) bond length is 2.86 Å. Both Y(3)-Si(2) bond lengths are 3.25 Å. There is one shorter (2.88 Å) and one longer (2.93 Å) Y(3)-Si(4) bond length. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. The Sc(1)-Si(1) bond length is 2.91 Å. The Sc(1)-Si(3) bond length is 2.92 Å. There is one shorter (2.91 Å) and one longer (3.00 Å) Sc(1)-Si(2) bond length. There is one shorter (2.93 Å) and one longer (2.97 Å) Sc(1)-Si(4) bond length. In the second Sc site, Sc(2) is bonded in a 3-coordinate geometry to one Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. The Sc(2)-Si(1) bond length is 2.85 Å. Both Sc(2)-Si(2) bond lengths are 2.80 Å. Both Sc(2)-Si(3) bond lengths are 3.25 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Sc(2), and four equivalent Sc(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Sc(2), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(3), two equivalent Sc(2), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(1), two equivalent Y(3), and four equivalent Sc(1) atoms.