Materials Data on Mn4Al11 by Materials Project

Abstract

Al11Mn4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.38–2.74 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.38–2.75 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.91 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to three Mn and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.57–2.94 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to four Mn and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.62–2.99 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Mn and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.92 Å. In the fifth Al site, Al is bonded in a 11-coordinate geometry to four Mn and seven Al atoms. There are one shorter (2.63 Å) and one longer (2.69 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 9-coordinate geometry to four Mn and seven Al atoms. The Al–Al bond length is 2.60 Å.