Materials Data on MgPd3 by Materials Project

Abstract

MgPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pd atoms to form a mixture of edge, face, and corner-sharing MgPd12 cuboctahedra. There are a spread of Mg–Pd bond distances ranging from 2.80–2.83 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four equivalent Mg atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Mg atoms. In the third Pd site, Pd is bonded to four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing PdMg4 cuboctahedra.