ThSc2(RhB)12 crystallizes in the tetragonal P-4m2 space group. Th(1) is bonded in a 24-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), four equivalent Rh(5), four equivalent Rh(6), two equivalent B(2), two equivalent B(3), four equivalent B(5), and four equivalent B(6) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 24-coordinate geometry to two equivalent Rh(4), two equivalent Rh(5), four equivalent Rh(1), four equivalent Rh(2), two equivalent B(4), two equivalent B(6), four equivalent B(1), and four equivalent B(2) atoms. In the second Sc site, Sc(2) is bonded in a 24-coordinate geometry to four equivalent Rh(6), eight equivalent Rh(3), four equivalent B(5), and eight equivalent B(3) atoms. In the third Sc site, Sc(3) is bonded in a 24-coordinate geometry to four equivalent Rh(2), eight equivalent Rh(4), four equivalent B(1), and eight equivalent B(4) atoms. There are six inequivalent Rh sites. In the first Rh site, Rh(3) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent B(5), and three equivalent B(3) atoms. In the second Rh site, Rh(4) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent B(1), and three equivalent B(4) atoms. In the third Rh site, Rh(5) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(1), one B(5), two equivalent B(2), and two equivalent B(6) atoms. In the fourth Rh site, Rh(6) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(2), one B(6), two equivalent B(3), and two equivalent B(5) atoms. In the fifth Rh site, Rh(1) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(1), one B(1), two equivalent B(2), and two equivalent B(6) atoms. In the sixth Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Sc(3), two equivalent Sc(1), one B(2), two equivalent B(1), and two equivalent B(4) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Sc(3), two equivalent Sc(1), one Rh(1), two equivalent Rh(2), two equivalent Rh(4), and one B(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(1), one Rh(2), two equivalent Rh(1), two equivalent Rh(5), and one B(2) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent Rh(6), three equivalent Rh(3), and one B(3) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent Rh(2), three equivalent Rh(4), and one B(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(2), one Rh(5), two equivalent Rh(3), two equivalent Rh(6), and one B(5) atom. In the sixth B site, B(6) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(1), one Rh(6), two equivalent Rh(1), two equivalent Rh(5), and one B(6) atom.
ThSc2(RhB)12 crystallizes in the tetragonal P-4m2 space group. Th(1) is bonded in a 24-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), four equivalent Rh(5), four equivalent Rh(6), two equivalent B(2), two equivalent B(3), four equivalent B(5), and four equivalent B(6) atoms. Both Th(1)-Rh(1) bond lengths are 3.00 Å. Both Th(1)-Rh(3) bond lengths are 3.00 Å. All Th(1)-Rh(5) bond lengths are 3.20 Å. All Th(1)-Rh(6) bond lengths are 3.20 Å. Both Th(1)-B(2) bond lengths are 3.19 Å. Both Th(1)-B(3) bond lengths are 3.17 Å. All Th(1)-B(5) bond lengths are 3.03 Å. All Th(1)-B(6) bond lengths are 3.02 Å. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 24-coordinate geometry to two equivalent Rh(4), two equivalent Rh(5), four equivalent Rh(1), four equivalent Rh(2), two equivalent B(4), two equivalent B(6), four equivalent B(1), and four equivalent B(2) atoms. Both Sc(1)-Rh(4) bond lengths are 2.94 Å. Both Sc(1)-Rh(5) bond lengths are 2.89 Å. All Sc(1)-Rh(1) bond lengths are 3.15 Å. All Sc(1)-Rh(2) bond lengths are 3.19 Å. Both Sc(1)-B(4) bond lengths are 3.17 Å. Both Sc(1)-B(6) bond lengths are 3.15 Å. All Sc(1)-B(1) bond lengths are 3.04 Å. All Sc(1)-B(2) bond lengths are 3.00 Å. In the second Sc site, Sc(2) is bonded in a 24-coordinate geometry to four equivalent Rh(6), eight equivalent Rh(3), four equivalent B(5), and eight equivalent B(3) atoms. All Sc(2)-Rh(6) bond lengths are 2.91 Å. All Sc(2)-Rh(3) bond lengths are 3.16 Å. All Sc(2)-B(5) bond lengths are 3.16 Å. All Sc(2)-B(3) bond lengths are 3.02 Å. In the third Sc site, Sc(3) is bonded in a 24-coordinate geometry to four equivalent Rh(2), eight equivalent Rh(4), four equivalent B(1), and eight equivalent B(4) atoms. All Sc(3)-Rh(2) bond lengths are 2.92 Å. All Sc(3)-Rh(4) bond lengths are 3.18 Å. All Sc(3)-B(1) bond lengths are 3.12 Å. All Sc(3)-B(4) bond lengths are 3.02 Å. There are six inequivalent Rh sites. In the first Rh site, Rh(3) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent B(5), and three equivalent B(3) atoms. Both Rh(3)-B(5) bond lengths are 2.23 Å. There is one shorter (2.19 Å) and two longer (2.22 Å) Rh(3)-B(3) bond lengths. In the second Rh site, Rh(4) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent B(1), and three equivalent B(4) atoms. Both Rh(4)-B(1) bond lengths are 2.20 Å. There are two shorter (2.20 Å) and one longer (2.23 Å) Rh(4)-B(4) bond length. In the third Rh site, Rh(5) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(1), one B(5), two equivalent B(2), and two equivalent B(6) atoms. The Rh(5)-B(5) bond length is 2.32 Å. Both Rh(5)-B(2) bond lengths are 2.21 Å. Both Rh(5)-B(6) bond lengths are 2.22 Å. In the fourth Rh site, Rh(6) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(2), one B(6), two equivalent B(3), and two equivalent B(5) atoms. The Rh(6)-B(6) bond length is 2.31 Å. Both Rh(6)-B(3) bond lengths are 2.20 Å. Both Rh(6)-B(5) bond lengths are 2.22 Å. In the fifth Rh site, Rh(1) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(1), one B(1), two equivalent B(2), and two equivalent B(6) atoms. The Rh(1)-B(1) bond length is 2.21 Å. Both Rh(1)-B(2) bond lengths are 2.22 Å. Both Rh(1)-B(6) bond lengths are 2.24 Å. In the sixth Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Sc(3), two equivalent Sc(1), one B(2), two equivalent B(1), and two equivalent B(4) atoms. The Rh(2)-B(2) bond length is 2.22 Å. Both Rh(2)-B(1) bond lengths are 2.20 Å. Both Rh(2)-B(4) bond lengths are 2.21 Å. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Sc(3), two equivalent Sc(1), one Rh(1), two equivalent Rh(2), two equivalent Rh(4), and one B(1) atom. The B(1)-B(1) bond length is 1.81 Å. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(1), one Rh(2), two equivalent Rh(1), two equivalent Rh(5), and one B(2) atom. The B(2)-B(2) bond length is 1.80 Å. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent Rh(6), three equivalent Rh(3), and one B(3) atom. The B(3)-B(3) bond length is 1.81 Å. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent Rh(2), three equivalent Rh(4), and one B(4) atom. The B(4)-B(4) bond length is 1.81 Å. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(2), one Rh(5), two equivalent Rh(3), two equivalent Rh(6), and one B(5) atom. The B(5)-B(5) bond length is 1.78 Å. In the sixth B site, B(6) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(1), one Rh(6), two equivalent Rh(1), two equivalent Rh(5), and one B(6) atom. The B(6)-B(6) bond length is 1.78 Å.