Materials Data on MnAl2Cr3 by Materials Project

Abstract

Cr3MnAl2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. All Cr–Cr bond lengths are 2.36 Å. There are four shorter (2.62 Å) and one longer (2.76 Å) Cr–Al bond lengths. In the second Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Mn and five Al atoms. All Cr–Mn bond lengths are 2.39 Å. There are four shorter (2.60 Å) and one longer (2.75 Å) Cr–Al bond lengths. In the third Cr site, Cr is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. There are four shorter (2.62 Å) and one longer (2.76 Å) Cr–Al bond lengths. Mn is bonded in a 8-coordinate geometry to four equivalent Cr and five Al atoms. There are four shorter (2.57 Å) and one longer (2.79 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to six Cr, four equivalent Mn, and four equivalent Al atoms. All Al–Al bond lengths are 2.92 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to nine Cr, one Mn, and four equivalent Al atoms. All Al–Al bond lengths are 2.92 Å.