Sc2BC2 crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to five equivalent C(1) atoms to form a mixture of edge and corner-sharing ScC5 square pyramids. B(1) is bonded in a linear geometry to two equivalent C(1) atoms. C(1) is bonded to five equivalent Sc(1) and one B(1) atom to form a mixture of edge and corner-sharing CSc5B octahedra. The corner-sharing octahedral tilt angles range from 0-7°.
Sc2BC2 crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to five equivalent C(1) atoms to form a mixture of edge and corner-sharing ScC5 square pyramids. There is one shorter (2.23 Å) and four longer (2.37 Å) Sc(1)-C(1) bond lengths. B(1) is bonded in a linear geometry to two equivalent C(1) atoms. Both B(1)-C(1) bond lengths are 1.48 Å. C(1) is bonded to five equivalent Sc(1) and one B(1) atom to form a mixture of edge and corner-sharing CSc5B octahedra. The corner-sharing octahedral tilt angles range from 0-7°.