Sc2Ru5B4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 17-coordinate geometry to two equivalent Sc(1); two equivalent Ru(2); four equivalent Ru(1); four equivalent Ru(3); two B(1,1); and three B(2,2) atoms. In the second Sc site, Sc(1) is bonded in a 17-coordinate geometry to two equivalent Sc(1); two equivalent Ru(2); four equivalent Ru(1); four equivalent Ru(3); two B(1,1); and three B(2,2) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to four equivalent Sc(1); two equivalent B(2); and four B(1,1) atoms. In the second Ru site, Ru(2) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1) and four equivalent B(2) atoms. In the third Ru site, Ru(3) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1), two equivalent B(1), and two equivalent B(2) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Ru(3), four equivalent Ru(1), and one B(1) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the third B site, B(2) is bonded in a 9-coordinate geometry to three Sc(1,1); two equivalent Ru(1); two equivalent Ru(2); and two equivalent Ru(3) atoms. In the fourth B site, B(1) is bonded in a 9-coordinate geometry to two Sc(1,1); two equivalent Ru(3); four equivalent Ru(1); and one B(1) atom.
Sc2Ru5B4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 17-coordinate geometry to two equivalent Sc(1); two equivalent Ru(2); four equivalent Ru(1); four equivalent Ru(3); two B(1,1); and three B(2,2) atoms. Both Sc(1)-Sc(1) bond lengths are 2.99 Å. Both Sc(1)-Ru(2) bond lengths are 2.70 Å. There are two shorter (3.10 Å) and two longer (3.15 Å) Sc(1)-Ru(1) bond lengths. There are two shorter (2.64 Å) and two longer (2.74 Å) Sc(1)-Ru(3) bond lengths. There is one shorter (2.77 Å) and one longer (2.83 Å) Sc(1)-B(1,1) bond length. There are a spread of Sc(1)-B(2,2) bond distances ranging from 2.71-2.83 Å. In the second Sc site, Sc(1) is bonded in a 17-coordinate geometry to two equivalent Sc(1); two equivalent Ru(2); four equivalent Ru(1); four equivalent Ru(3); two B(1,1); and three B(2,2) atoms. Both Sc(1)-Sc(1) bond lengths are 2.99 Å. Both Sc(1)-Ru(2) bond lengths are 2.70 Å. There are two shorter (3.10 Å) and two longer (3.15 Å) Sc(1)-Ru(1) bond lengths. There are two shorter (2.64 Å) and two longer (2.74 Å) Sc(1)-Ru(3) bond lengths. There is one shorter (2.77 Å) and one longer (2.83 Å) Sc(1)-B(1,1) bond length. There are a spread of Sc(1)-B(2,2) bond distances ranging from 2.71-2.83 Å. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to four equivalent Sc(1); two equivalent B(2); and four B(1,1) atoms. Both Ru(1)-B(2) bond lengths are 2.28 Å. There are two shorter (2.28 Å) and two longer (2.29 Å) Ru(1)-B(1,1) bond lengths. In the second Ru site, Ru(2) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1) and four equivalent B(2) atoms. All Ru(2)-B(2) bond lengths are 2.20 Å. In the third Ru site, Ru(3) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(1), two equivalent B(1), and two equivalent B(2) atoms. Both Ru(3)-B(1) bond lengths are 2.18 Å. Both Ru(3)-B(2) bond lengths are 2.24 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Ru(3), four equivalent Ru(1), and one B(1) atom. The B(1)-B(1) bond length is 1.87 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(3) atoms. In the third B site, B(2) is bonded in a 9-coordinate geometry to three Sc(1,1); two equivalent Ru(1); two equivalent Ru(2); and two equivalent Ru(3) atoms. Both B(2)-Ru(1) bond lengths are 2.28 Å. Both B(2)-Ru(2) bond lengths are 2.20 Å. Both B(2)-Ru(3) bond lengths are 2.24 Å. In the fourth B site, B(1) is bonded in a 9-coordinate geometry to two Sc(1,1); two equivalent Ru(3); four equivalent Ru(1); and one B(1) atom. Both B(1)-Ru(3) bond lengths are 2.18 Å. The B(1)-B(1) bond length is 1.87 Å.