ScNb2Ru5B2 crystallizes in the orthorhombic Cmmm space group. Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(3), four equivalent Ru(4), one B(1), and two equivalent B(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a body-centered cubic geometry to four equivalent Ru(3) and four equivalent Ru(4) atoms. In the second Nb site, Nb(2) is bonded in a 13-coordinate geometry to two equivalent Ru(1), four equivalent Ru(3), four equivalent Ru(4), one B(2), and two equivalent B(1) atoms. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to four equivalent Nb(2) and four equivalent B(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 8-coordinate geometry to two equivalent Sc(1), 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 Nb(1), two equivalent Nb(2), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent 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 two equivalent Sc(1), one Nb(2), two equivalent Ru(2), and four equivalent Ru(4) atoms.
ScNb2Ru5B2 crystallizes in the orthorhombic Cmmm space group. Sc(1) is bonded in a 13-coordinate geometry to two equivalent Ru(2), four equivalent Ru(3), four equivalent Ru(4), one B(1), and two equivalent B(2) atoms. Both Sc(1)-Ru(2) bond lengths are 2.79 Å. All Sc(1)-Ru(3) bond lengths are 2.93 Å. All Sc(1)-Ru(4) bond lengths are 3.01 Å. The Sc(1)-B(1) bond length is 2.72 Å. Both Sc(1)-B(2) bond lengths are 2.84 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a body-centered cubic geometry to four equivalent Ru(3) and four equivalent Ru(4) atoms. All Nb(1)-Ru(3) bond lengths are 2.66 Å. All Nb(1)-Ru(4) bond lengths are 2.65 Å. In the second Nb site, Nb(2) is bonded in a 13-coordinate geometry to two equivalent Ru(1), four equivalent Ru(3), four equivalent Ru(4), one B(2), and two equivalent B(1) atoms. Both Nb(2)-Ru(1) bond lengths are 2.82 Å. All Nb(2)-Ru(3) bond lengths are 2.93 Å. All Nb(2)-Ru(4) bond lengths are 2.82 Å. The Nb(2)-B(2) bond length is 2.73 Å. Both Nb(2)-B(1) bond lengths are 2.88 Å. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 8-coordinate geometry to four equivalent Nb(2) and four equivalent B(1) atoms. All Ru(1)-B(1) bond lengths are 2.24 Å. 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 2.21 Å. In the third Ru site, Ru(3) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(1) atoms. Both Ru(3)-B(1) bond lengths are 2.20 Å. In the fourth Ru site, Ru(4) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Nb(1), two equivalent Nb(2), and two equivalent B(2) atoms. Both Ru(4)-B(2) bond lengths are 2.22 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent 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 two equivalent Sc(1), one Nb(2), two equivalent Ru(2), and four equivalent Ru(4) atoms.