Sc3Nb3(Ru5B2)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(4), four equivalent Ru(6), one B(2), and two equivalent B(3) atoms. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to two equivalent Ru(1), two equivalent Ru(3), two equivalent Ru(4), two equivalent Ru(5), two equivalent Ru(6), one B(1), one B(2), and one B(3) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a body-centered cubic geometry to two equivalent Ru(3), two equivalent Ru(4), two equivalent Ru(5), and two equivalent Ru(6) atoms. In the second Nb site, Nb(2) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(3), four equivalent Ru(5), one B(1), and two equivalent B(3) atoms. There are six inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(2), and four equivalent B(3) atoms. In the third Ru site, Ru(3) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(1) atoms. In the fourth Ru site, Ru(4) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Nb(1), and two equivalent B(2) atoms. In the fifth Ru site, Ru(5) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(3) atoms. In the sixth Ru site, Ru(6) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Nb(1), and two equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Nb(2), two equivalent Ru(1), and four equivalent Ru(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Sc(2), two equivalent Ru(1), and four equivalent Ru(4) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(2), one Nb(2), two equivalent Ru(2), two equivalent Ru(5), and two equivalent Ru(6) atoms.
Sc3Nb3(Ru5B2)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(4), four equivalent Ru(6), one B(2), and two equivalent B(3) atoms. Both Sc(1)-Ru(2) bond lengths are 2.85 Å. All Sc(1)-Ru(4) bond lengths are 2.89 Å. All Sc(1)-Ru(6) bond lengths are 2.98 Å. The Sc(1)-B(2) bond length is 2.73 Å. Both Sc(1)-B(3) bond lengths are 2.87 Å. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to two equivalent Ru(1), two equivalent Ru(3), two equivalent Ru(4), two equivalent Ru(5), two equivalent Ru(6), one B(1), one B(2), and one B(3) atom. Both Sc(2)-Ru(1) bond lengths are 2.81 Å. Both Sc(2)-Ru(3) bond lengths are 3.05 Å. Both Sc(2)-Ru(4) bond lengths are 2.96 Å. Both Sc(2)-Ru(5) bond lengths are 2.94 Å. Both Sc(2)-Ru(6) bond lengths are 2.89 Å. The Sc(2)-B(1) bond length is 2.85 Å. The Sc(2)-B(2) bond length is 2.86 Å. The Sc(2)-B(3) bond length is 2.73 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a body-centered cubic geometry to two equivalent Ru(3), two equivalent Ru(4), two equivalent Ru(5), and two equivalent Ru(6) atoms. Both Nb(1)-Ru(3) bond lengths are 2.67 Å. Both Nb(1)-Ru(4) bond lengths are 2.66 Å. Both Nb(1)-Ru(5) bond lengths are 2.67 Å. Both Nb(1)-Ru(6) bond lengths are 2.66 Å. In the second Nb site, Nb(2) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(3), four equivalent Ru(5), one B(1), and two equivalent B(3) atoms. Both Nb(2)-Ru(2) bond lengths are 2.77 Å. All Nb(2)-Ru(3) bond lengths are 2.82 Å. All Nb(2)-Ru(5) bond lengths are 2.92 Å. The Nb(2)-B(1) bond length is 2.76 Å. Both Nb(2)-B(3) bond lengths are 2.87 Å. There are six inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sc(2), two equivalent B(1), and two equivalent B(2) atoms. Both Ru(1)-B(1) bond lengths are 2.21 Å. Both Ru(1)-B(2) bond lengths are 2.25 Å. In the second Ru site, Ru(2) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(2), and four equivalent B(3) atoms. All Ru(2)-B(3) bond lengths are 2.24 Å. In the third Ru site, Ru(3) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(1) atoms. Both Ru(3)-B(1) bond lengths are 2.23 Å. In the fourth Ru site, Ru(4) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Nb(1), and two equivalent B(2) atoms. Both Ru(4)-B(2) bond lengths are 2.21 Å. In the fifth Ru site, Ru(5) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(3) atoms. Both Ru(5)-B(3) bond lengths are 2.22 Å. In the sixth Ru site, Ru(6) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Nb(1), and two equivalent B(3) atoms. Both Ru(6)-B(3) bond lengths are 2.21 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Nb(2), two equivalent Ru(1), and four equivalent Ru(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Sc(2), two equivalent Ru(1), and four equivalent Ru(4) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(2), one Nb(2), two equivalent Ru(2), two equivalent Ru(5), and two equivalent Ru(6) atoms.