Ti7B8(IrRh2)2 crystallizes in the monoclinic Pm space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and two equivalent B(6) atoms to form face-sharing TiB12 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Rh(3), one B(7), two equivalent B(1), and two equivalent B(6) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(1), two equivalent Rh(4), one B(7), two equivalent B(2), and two equivalent B(4) atoms. In the fourth Ti site, Ti(4) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(1), two equivalent Rh(2), one B(7), two equivalent B(3), and two equivalent B(5) atoms. In the fifth Ti site, Ti(5) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(2), two equivalent Rh(3), one B(8), two equivalent B(3), and two equivalent B(4) atoms. In the sixth Ti site, Ti(6) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Rh(4), one B(8), two equivalent B(1), and two equivalent B(5) atoms. In the seventh Ti site, Ti(7) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(2), two equivalent Rh(4), one B(8), two equivalent B(2), and two equivalent B(6) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(4), two equivalent Ti(7), one Rh(2), one B(6), and two equivalent B(7) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(5), one Rh(3), one B(4), and two equivalent B(7) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(6), one B(5), and two equivalent B(7) atoms. In the second Rh site, Rh(2) is bonded in a 10-coordinate geometry to two equivalent Ti(4), two equivalent Ti(5), two equivalent Ti(7), one Ir(1), one B(3), and two equivalent B(8) atoms. In the third Rh site, Rh(3) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(5), two equivalent Ti(6), one Ir(2), one B(1), and two equivalent B(8) atoms. In the fourth Rh site, Rh(4) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(6), two equivalent Ti(7), one B(2), and two equivalent B(8) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(6), one Rh(3), one B(5), and one B(6) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(7), one Rh(4), one B(4), and one B(6) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), one Rh(2), one B(4), and one B(5) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(5), one Ir(2), one B(2), and one B(3) atom. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(6), one Rh(1), one B(1), and one B(3) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(7), one Ir(1), one B(1), and one B(2) atom. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(3), one Ti(4), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Rh(1) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Ti(5), one Ti(6), one Ti(7), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Rh(4) atoms.
Ti7B8(IrRh2)2 crystallizes in the monoclinic Pm space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and two equivalent B(6) atoms to form face-sharing TiB12 cuboctahedra. Both Ti(1)-B(1) bond lengths are 2.40 Å. Both Ti(1)-B(2) bond lengths are 2.40 Å. Both Ti(1)-B(3) bond lengths are 2.40 Å. Both Ti(1)-B(4) bond lengths are 2.40 Å. Both Ti(1)-B(5) bond lengths are 2.40 Å. Both Ti(1)-B(6) bond lengths are 2.40 Å. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Rh(3), one B(7), two equivalent B(1), and two equivalent B(6) atoms. Both Ti(2)-Ir(1) bond lengths are 2.69 Å. Both Ti(2)-Ir(2) bond lengths are 2.89 Å. Both Ti(2)-Rh(3) bond lengths are 2.72 Å. The Ti(2)-B(7) bond length is 2.61 Å. Both Ti(2)-B(1) bond lengths are 2.34 Å. Both Ti(2)-B(6) bond lengths are 2.36 Å. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(1), two equivalent Rh(4), one B(7), two equivalent B(2), and two equivalent B(4) atoms. Both Ti(3)-Ir(2) bond lengths are 2.68 Å. Both Ti(3)-Rh(1) bond lengths are 2.89 Å. Both Ti(3)-Rh(4) bond lengths are 2.72 Å. The Ti(3)-B(7) bond length is 2.61 Å. Both Ti(3)-B(2) bond lengths are 2.34 Å. Both Ti(3)-B(4) bond lengths are 2.36 Å. In the fourth Ti site, Ti(4) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(1), two equivalent Rh(2), one B(7), two equivalent B(3), and two equivalent B(5) atoms. Both Ti(4)-Ir(1) bond lengths are 2.88 Å. Both Ti(4)-Rh(1) bond lengths are 2.68 Å. Both Ti(4)-Rh(2) bond lengths are 2.72 Å. The Ti(4)-B(7) bond length is 2.61 Å. Both Ti(4)-B(3) bond lengths are 2.35 Å. Both Ti(4)-B(5) bond lengths are 2.36 Å. In the fifth Ti site, Ti(5) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(2), two equivalent Rh(3), one B(8), two equivalent B(3), and two equivalent B(4) atoms. Both Ti(5)-Ir(2) bond lengths are 2.72 Å. Both Ti(5)-Rh(2) bond lengths are 2.68 Å. Both Ti(5)-Rh(3) bond lengths are 2.87 Å. The Ti(5)-B(8) bond length is 2.60 Å. Both Ti(5)-B(3) bond lengths are 2.36 Å. Both Ti(5)-B(4) bond lengths are 2.35 Å. In the sixth Ti site, Ti(6) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Rh(4), one B(8), two equivalent B(1), and two equivalent B(5) atoms. Both Ti(6)-Rh(1) bond lengths are 2.71 Å. Both Ti(6)-Rh(3) bond lengths are 2.68 Å. Both Ti(6)-Rh(4) bond lengths are 2.87 Å. The Ti(6)-B(8) bond length is 2.60 Å. Both Ti(6)-B(1) bond lengths are 2.36 Å. Both Ti(6)-B(5) bond lengths are 2.35 Å. In the seventh Ti site, Ti(7) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(2), two equivalent Rh(4), one B(8), two equivalent B(2), and two equivalent B(6) atoms. Both Ti(7)-Ir(1) bond lengths are 2.72 Å. Both Ti(7)-Rh(2) bond lengths are 2.87 Å. Both Ti(7)-Rh(4) bond lengths are 2.68 Å. The Ti(7)-B(8) bond length is 2.60 Å. Both Ti(7)-B(2) bond lengths are 2.36 Å. Both Ti(7)-B(6) bond lengths are 2.35 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(4), two equivalent Ti(7), one Rh(2), one B(6), and two equivalent B(7) atoms. The Ir(1)-Rh(2) bond length is 2.80 Å. The Ir(1)-B(6) bond length is 2.39 Å. Both Ir(1)-B(7) bond lengths are 2.24 Å. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(5), one Rh(3), one B(4), and two equivalent B(7) atoms. The Ir(2)-Rh(3) bond length is 2.81 Å. The Ir(2)-B(4) bond length is 2.38 Å. Both Ir(2)-B(7) bond lengths are 2.24 Å. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(6), one B(5), and two equivalent B(7) atoms. The Rh(1)-B(5) bond length is 2.39 Å. Both Rh(1)-B(7) bond lengths are 2.25 Å. In the second Rh site, Rh(2) is bonded in a 10-coordinate geometry to two equivalent Ti(4), two equivalent Ti(5), two equivalent Ti(7), one Ir(1), one B(3), and two equivalent B(8) atoms. The Rh(2)-B(3) bond length is 2.40 Å. Both Rh(2)-B(8) bond lengths are 2.24 Å. In the third Rh site, Rh(3) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(5), two equivalent Ti(6), one Ir(2), one B(1), and two equivalent B(8) atoms. The Rh(3)-B(1) bond length is 2.40 Å. Both Rh(3)-B(8) bond lengths are 2.24 Å. In the fourth Rh site, Rh(4) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(6), two equivalent Ti(7), one B(2), and two equivalent B(8) atoms. The Rh(4)-B(2) bond length is 2.40 Å. Both Rh(4)-B(8) bond lengths are 2.24 Å. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(6), one Rh(3), one B(5), and one B(6) atom. The B(1)-B(5) bond length is 1.79 Å. The B(1)-B(6) bond length is 1.79 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(7), one Rh(4), one B(4), and one B(6) atom. The B(2)-B(4) bond length is 1.79 Å. The B(2)-B(6) bond length is 1.79 Å. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), one Rh(2), one B(4), and one B(5) atom. The B(3)-B(4) bond length is 1.79 Å. The B(3)-B(5) bond length is 1.79 Å. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(5), one Ir(2), one B(2), and one B(3) atom. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(6), one Rh(1), one B(1), and one B(3) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(7), one Ir(1), one B(1), and one B(2) atom. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(3), one Ti(4), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Rh(1) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Ti(5), one Ti(6), one Ti(7), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Rh(4) atoms.