Materials Data on MnPd3 by Materials Project

Abstract

Pd3Mn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Pd atoms to form MnPd12 cuboctahedra that share corners with six equivalent MnPd12 cuboctahedra, corners with twelve equivalent PdMn4Pd8 cuboctahedra, edges with eighteen equivalent PdMn4Pd8 cuboctahedra, faces with eight equivalent MnPd12 cuboctahedra, and faces with twelve equivalent PdMn4Pd8 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.79 Å) Mn–Pd bond lengths. Pd is bonded to four equivalent Mn and eight equivalent Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent MnPd12 cuboctahedra, corners with fourteen equivalent PdMn4Pd8 cuboctahedra, edges with six equivalent MnPd12 cuboctahedra, edges with twelve equivalent PdMn4Pd8 cuboctahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with sixteen equivalent PdMn4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.77–2.81 Å.