Sc7Cl12 crystallizes in the trigonal R-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent Cl(1) atoms to form edge-sharing ScCl6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent Cl(1) and three equivalent Cl(2) atoms to form ScCl5 square pyramids that share corners with six equivalent Sc(2)Cl5 square pyramids,  an edgeedge with one Sc(1)Cl6 octahedra, and  an edgeedge with one Sc(2)Cl5 square pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted T-shaped geometry to three equivalent Sc(2) atoms. In the second Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms.
Sc7Cl12 crystallizes in the trigonal R-3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent Cl(1) atoms to form edge-sharing ScCl6 octahedra. All Sc(1)-Cl(1) bond lengths are 2.56 Å. In the second Sc site, Sc(2) is bonded to two equivalent Cl(1) and three equivalent Cl(2) atoms to form ScCl5 square pyramids that share corners with six equivalent Sc(2)Cl5 square pyramids,  an edgeedge with one Sc(1)Cl6 octahedra, and  an edgeedge with one Sc(2)Cl5 square pyramid. There is one shorter (2.59 Å) and one longer (2.63 Å) Sc(2)-Cl(1) bond length. There are a spread of Sc(2)-Cl(2) bond distances ranging from 2.55-2.78 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted T-shaped geometry to three equivalent Sc(2) atoms. In the second Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms.