Sc7CBr12 is trigonal omega-derived structured and crystallizes in the trigonal R3 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Br(2) and three equivalent Br(4) atoms to form edge-sharing ScBr6 octahedra. In the second Sc site, Sc(2) is bonded to one C(1), one Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form distorted ScCBr5 octahedra that share  a cornercorner with one Sc(3)CBr5 octahedra, corners with two equivalent Sc(2)CBr5 octahedra,  an edgeedge with one Sc(1)Br6 octahedra, edges with two equivalent Sc(2)CBr5 octahedra, and edges with three equivalent Sc(3)CBr5 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Sc site, Sc(3) is bonded to one C(1), one Br(3), two equivalent Br(1), and two equivalent Br(4) atoms to form distorted ScCBr5 octahedra that share  a cornercorner with one Sc(2)CBr5 octahedra, corners with two equivalent Sc(3)CBr5 octahedra,  an edgeedge with one Sc(1)Br6 octahedra, edges with two equivalent Sc(3)CBr5 octahedra, and edges with three equivalent Sc(2)CBr5 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. C(1) is bonded in an octahedral geometry to three equivalent Sc(2) and three equivalent Sc(3) atoms. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(3) atoms. In the second Br site, Br(1) is bonded in a 3-coordinate geometry to one Sc(2) and two equivalent Sc(3) atoms. In the third Br site, Br(2) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. In the fourth Br site, Br(3) is bonded in a distorted T-shaped geometry to one Sc(3) and two equivalent Sc(2) atoms.
Sc7CBr12 is trigonal omega-derived structured and crystallizes in the trigonal R3 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Br(2) and three equivalent Br(4) atoms to form edge-sharing ScBr6 octahedra. All Sc(1)-Br(2) bond lengths are 2.77 Å. All Sc(1)-Br(4) bond lengths are 2.66 Å. In the second Sc site, Sc(2) is bonded to one C(1), one Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form distorted ScCBr5 octahedra that share  a cornercorner with one Sc(3)CBr5 octahedra, corners with two equivalent Sc(2)CBr5 octahedra,  an edgeedge with one Sc(1)Br6 octahedra, edges with two equivalent Sc(2)CBr5 octahedra, and edges with three equivalent Sc(3)CBr5 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Sc(2)-C(1) bond length is 2.27 Å. The Sc(2)-Br(1) bond length is 2.67 Å. There is one shorter (2.73 Å) and one longer (2.74 Å) Sc(2)-Br(2) bond length. There is one shorter (2.70 Å) and one longer (3.07 Å) Sc(2)-Br(3) bond length. In the third Sc site, Sc(3) is bonded to one C(1), one Br(3), two equivalent Br(1), and two equivalent Br(4) atoms to form distorted ScCBr5 octahedra that share  a cornercorner with one Sc(2)CBr5 octahedra, corners with two equivalent Sc(3)CBr5 octahedra,  an edgeedge with one Sc(1)Br6 octahedra, edges with two equivalent Sc(3)CBr5 octahedra, and edges with three equivalent Sc(2)CBr5 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Sc(3)-C(1) bond length is 2.30 Å. The Sc(3)-Br(3) bond length is 2.71 Å. There is one shorter (2.75 Å) and one longer (3.10 Å) Sc(3)-Br(1) bond length. There is one shorter (2.73 Å) and one longer (2.75 Å) Sc(3)-Br(4) bond length. C(1) is bonded in an octahedral geometry to three equivalent Sc(2) and three equivalent Sc(3) atoms. There are four inequivalent Br sites. In the first Br site, Br(4) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(3) atoms. In the second Br site, Br(1) is bonded in a 3-coordinate geometry to one Sc(2) and two equivalent Sc(3) atoms. In the third Br site, Br(2) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. In the fourth Br site, Br(3) is bonded in a distorted T-shaped geometry to one Sc(3) and two equivalent Sc(2) atoms.