ScIr3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to twelve equivalent Ir(1) atoms to form ScIr12 cuboctahedra that share corners with twelve equivalent Sc(1)Ir12 cuboctahedra, faces with six equivalent Sc(1)Ir12 cuboctahedra, and faces with eight equivalent B(1)Ir6 octahedra. Ir(1) is bonded to four equivalent Sc(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing IrSc4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. B(1) is bonded to six equivalent Ir(1) atoms to form BIr6 octahedra that share corners with six equivalent B(1)Ir6 octahedra and faces with eight equivalent Sc(1)Ir12 cuboctahedra. The corner-sharing octahedra are not tilted.
ScIr3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Sc(1) is bonded to twelve equivalent Ir(1) atoms to form ScIr12 cuboctahedra that share corners with twelve equivalent Sc(1)Ir12 cuboctahedra, faces with six equivalent Sc(1)Ir12 cuboctahedra, and faces with eight equivalent B(1)Ir6 octahedra. All Sc(1)-Ir(1) bond lengths are 2.92 Å. Ir(1) is bonded to four equivalent Sc(1) and two equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing IrSc4B2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Both Ir(1)-B(1) bond lengths are 2.06 Å. B(1) is bonded to six equivalent Ir(1) atoms to form BIr6 octahedra that share corners with six equivalent B(1)Ir6 octahedra and faces with eight equivalent Sc(1)Ir12 cuboctahedra. The corner-sharing octahedra are not tilted.