Materials Data on Al6Tc by Materials Project

Abstract

TcAl6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tc is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Tc–Al bond distances ranging from 2.52–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.96 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and eight Al atoms. All Al–Al bond lengths are 2.97 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one Tc and ten Al atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Al–Al bond lengths.