Materials Data on LuBRh3 by Materials Project
LuRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Rh atoms to form LuRh12 cuboctahedra that share corners with twelve equivalent LuRh12 cuboctahedra, faces with six equivalent LuRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Lu–Rh bond lengths are 2.95 Å. Rh is bonded to four equivalent Lu and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhLu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.09 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent LuRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.