Materials Data on TmBPd3 by Materials Project

Abstract

TmPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Pd atoms to form TmPd12 cuboctahedra that share corners with twelve equivalent TmPd12 cuboctahedra, faces with six equivalent TmPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Tm–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Tm and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdTm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.15 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 TmPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.