Materials Data on MnAl6 by Materials Project

Al6Mn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mn is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.43–2.64 Å. There are three 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 2.53–2.98 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mn and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.88 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to two equivalent Mn and nine Al atoms. The Al–Al bond length is 2.61 Å.