Ce6B2(CBr)3 crystallizes in the monoclinic P2/m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one C(1), two equivalent C(2), one Br(1), and two equivalent Br(2) atoms to form a mixture of distorted edge and corner-sharing CeC3Br3 octahedra. The corner-sharing octahedra are not tilted. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to four equivalent B(1), two equivalent C(1), one Br(2), and two equivalent Br(1) atoms. In the third Ce site, Ce(3) is bonded in a 7-coordinate geometry to two equivalent B(1), one C(2), two equivalent C(1), and two equivalent Br(1) atoms. B(1) is bonded in a distorted single-bond geometry to two equivalent Ce(3), four equivalent Ce(2), and one C(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Ce(1), two equivalent Ce(2), two equivalent Ce(3), and one B(1) atom to form distorted CCe5B octahedra that share edges with two equivalent C(1)Ce5B octahedra and edges with two equivalent C(2)Ce6 octahedra. In the second C site, C(2) is bonded to two equivalent Ce(3) and four equivalent Ce(1) atoms to form CCe6 octahedra that share edges with two equivalent C(2)Ce6 octahedra and edges with four equivalent C(1)Ce5B octahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Ce(2), and two equivalent Ce(3) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to two equivalent Ce(2) and four equivalent Ce(1) atoms.
Ce6B2(CBr)3 crystallizes in the monoclinic P2/m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one C(1), two equivalent C(2), one Br(1), and two equivalent Br(2) atoms to form a mixture of distorted edge and corner-sharing CeC3Br3 octahedra. The corner-sharing octahedra are not tilted. The Ce(1)-C(1) bond length is 2.35 Å. Both Ce(1)-C(2) bond lengths are 2.54 Å. The Ce(1)-Br(1) bond length is 3.17 Å. Both Ce(1)-Br(2) bond lengths are 3.16 Å. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to four equivalent B(1), two equivalent C(1), one Br(2), and two equivalent Br(1) atoms. There are two shorter (2.69 Å) and two longer (2.82 Å) Ce(2)-B(1) bond lengths. Both Ce(2)-C(1) bond lengths are 2.55 Å. The Ce(2)-Br(2) bond length is 3.30 Å. Both Ce(2)-Br(1) bond lengths are 3.24 Å. In the third Ce site, Ce(3) is bonded in a 7-coordinate geometry to two equivalent B(1), one C(2), two equivalent C(1), and two equivalent Br(1) atoms. Both Ce(3)-B(1) bond lengths are 2.86 Å. The Ce(3)-C(2) bond length is 2.59 Å. Both Ce(3)-C(1) bond lengths are 2.57 Å. Both Ce(3)-Br(1) bond lengths are 3.16 Å. B(1) is bonded in a distorted single-bond geometry to two equivalent Ce(3), four equivalent Ce(2), and one C(1) atom. The B(1)-C(1) bond length is 1.53 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Ce(1), two equivalent Ce(2), two equivalent Ce(3), and one B(1) atom to form distorted CCe5B octahedra that share edges with two equivalent C(1)Ce5B octahedra and edges with two equivalent C(2)Ce6 octahedra. In the second C site, C(2) is bonded to two equivalent Ce(3) and four equivalent Ce(1) atoms to form CCe6 octahedra that share edges with two equivalent C(2)Ce6 octahedra and edges with four equivalent C(1)Ce5B octahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one Ce(1), two equivalent Ce(2), and two equivalent Ce(3) atoms. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to two equivalent Ce(2) and four equivalent Ce(1) atoms.