Materials Data on Na2SrFe by Materials Project

Abstract

Na2SrFe is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to four Sr and four Fe atoms. All Na–Sr bond lengths are 3.31 Å. All Na–Fe bond lengths are 3.31 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to eight equivalent Na and six Fe atoms. There are two shorter (3.81 Å) and four longer (3.83 Å) Sr–Fe bond lengths. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight equivalent Na and six Fe atoms. There are two shorter (3.81 Å) and four longer (3.83 Å) Sr–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six Sr atoms. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six Sr atoms.