ScZrB4 crystallizes in the cubic F-43m space group. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent B(1) atoms. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1) and twelve equivalent B(1) atoms. B(1) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Zr(1), and three equivalent B(1) atoms.
ScZrB4 crystallizes in the cubic F-43m space group. Sc(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent B(1) atoms. All Sc(1)-Zr(1) bond lengths are 2.74 Å. All Sc(1)-B(1) bond lengths are 2.59 Å. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Sc(1) and twelve equivalent B(1) atoms. All Zr(1)-B(1) bond lengths are 2.68 Å. B(1) is bonded in a distorted q6 geometry to three equivalent Sc(1), three equivalent Zr(1), and three equivalent B(1) atoms. All B(1)-B(1) bond lengths are 1.82 Å.