Sc4BCl6 is trigonal omega-derived structured and crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent B(1), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form ScB2Cl4 octahedra that share corners with two equivalent Sc(1)B2Cl4 octahedra, corners with two equivalent Sc(2)BCl5 octahedra, edges with three equivalent Sc(1)B2Cl4 octahedra, and edges with four equivalent Sc(2)BCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the second Sc site, Sc(2) is bonded to one B(1), one Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form ScBCl5 octahedra that share  a cornercorner with one Sc(2)BCl5 octahedra, corners with two equivalent Sc(1)B2Cl4 octahedra, edges with two equivalent Sc(2)BCl5 octahedra, and edges with four equivalent Sc(1)B2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. B(1) is bonded to two equivalent Sc(2) and four equivalent Sc(1) atoms to form edge-sharing BSc6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms.
Sc4BCl6 is trigonal omega-derived structured and crystallizes in the orthorhombic Pbam space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent B(1), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form ScB2Cl4 octahedra that share corners with two equivalent Sc(1)B2Cl4 octahedra, corners with two equivalent Sc(2)BCl5 octahedra, edges with three equivalent Sc(1)B2Cl4 octahedra, and edges with four equivalent Sc(2)BCl5 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. Both Sc(1)-B(1) bond lengths are 2.42 Å. The Sc(1)-Cl(2) bond length is 2.61 Å. The Sc(1)-Cl(3) bond length is 2.60 Å. Both Sc(1)-Cl(1) bond lengths are 2.64 Å. In the second Sc site, Sc(2) is bonded to one B(1), one Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form ScBCl5 octahedra that share  a cornercorner with one Sc(2)BCl5 octahedra, corners with two equivalent Sc(1)B2Cl4 octahedra, edges with two equivalent Sc(2)BCl5 octahedra, and edges with four equivalent Sc(1)B2Cl4 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. The Sc(2)-B(1) bond length is 2.33 Å. The Sc(2)-Cl(1) bond length is 2.70 Å. Both Sc(2)-Cl(2) bond lengths are 2.57 Å. Both Sc(2)-Cl(3) bond lengths are 2.58 Å. B(1) is bonded to two equivalent Sc(2) and four equivalent Sc(1) atoms to form edge-sharing BSc6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to one Sc(2) and two equivalent Sc(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Sc(1) and two equivalent Sc(2) atoms.