Materials Data on LuBPd3 by Materials Project

Abstract

LuPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pd atoms to form LuPd12 cuboctahedra that share corners with twelve equivalent LuPd12 cuboctahedra, faces with six equivalent LuPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Lu–Pd bond lengths are 3.03 Å. Pd is bonded to four equivalent Lu and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdLu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.14 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent LuPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.