Materials Data on MnAl24Cr by Materials Project

Abstract

CrMnAl24 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr is bonded in a cuboctahedral geometry to twelve Al atoms. There are a spread of Cr–Al bond distances ranging from 2.66–2.68 Å. Mn is bonded in a cuboctahedral geometry to twelve Al atoms. All Mn–Al bond lengths are 2.67 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to one Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.93 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to one Cr and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.93 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to one Cr and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.93 Å. In the fourth Al site, Al is bonded in a 11-coordinate geometry to one Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.82 Å. In the fifth Al site, Al is bonded in a 11-coordinate geometry to one Cr and ten Al atoms. There are one shorter (2.78 Å) and one longer (2.92 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 11-coordinate geometry to one Mn and ten Al atoms. There are one shorter (2.77 Å) and one longer (2.91 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 11-coordinate geometry to one Mn and ten Al atoms. In the eighth Al site, Al is bonded in a 11-coordinate geometry to one Cr and ten Al atoms.