Materials Data on YB2Pd7 by Materials Project

YPd7B2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Pd atoms to form YPd12 cuboctahedra that share corners with twelve equivalent YPd12 cuboctahedra, faces with six equivalent PdPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Y–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to two equivalent Y, two equivalent Pd, and two equivalent B atoms. Both Pd–Pd bond lengths are 3.00 Å. Both Pd–B bond lengths are 2.12 Å. In the second Pd site, Pd is bonded to twelve equivalent Pd atoms to form PdPd12 cuboctahedra that share corners with twelve equivalent PdPd12 cuboctahedra, faces with six equivalent YPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra, faces with four equivalent YPd12 cuboctahedra, and faces with four equivalent PdPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.