Materials Data on TiPd3 by Materials Project

Abstract

Pd3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Pd atoms to form TiPd12 cuboctahedra that share corners with twelve equivalent TiPd12 cuboctahedra, edges with twenty-four equivalent PdTi4Pd8 cuboctahedra, faces with six equivalent TiPd12 cuboctahedra, and faces with twelve equivalent PdTi4Pd8 cuboctahedra. All Ti–Pd bond lengths are 2.78 Å. Pd is bonded to four equivalent Ti and eight equivalent Pd atoms to form distorted PdTi4Pd8 cuboctahedra that share corners with twelve equivalent PdTi4Pd8 cuboctahedra, edges with eight equivalent TiPd12 cuboctahedra, edges with sixteen equivalent PdTi4Pd8 cuboctahedra, faces with four equivalent TiPd12 cuboctahedra, and faces with fourteen equivalent PdTi4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.78 Å.