Materials Data on Mn2In2CuPd3 by Materials Project

Abstract

Mn2Pd3CuIn2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to five Pd and three equivalent Cu atoms. There are a spread of Mn–Pd bond distances ranging from 2.75–2.79 Å. All Mn–Cu bond lengths are 2.75 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to seven Pd and one Cu atom. There are a spread of Mn–Pd bond distances ranging from 2.75–2.79 Å. The Mn–Cu bond length is 2.76 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to four Mn and four In atoms. There are three shorter (2.76 Å) and one longer (2.79 Å) Pd–In bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to four Mn and four In atoms. All Pd–In bond lengths are 2.75 Å. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to four Mn and four In atoms. There are three shorter (2.76 Å) and one longer (2.79 Å) Pd–In bond lengths. Cu is bonded in a distorted body-centered cubic geometry to four Mn and four In atoms. There are three shorter (2.75 Å) and one longer (2.76 Å) Cu–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted body-centered cubic geometry to five Pd and three equivalent Cu atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to seven Pd and one Cu atom.