Materials Data on Th2Al7 by Materials Project

Abstract

Th2Al7 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to fourteen Al atoms. There are a spread of Th–Al bond distances ranging from 3.26–3.37 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Th and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.91 Å. In the second Al site, Al is bonded in a distorted q6 geometry to four equivalent Th and six Al atoms. Both Al–Al bond lengths are 2.95 Å. In the third Al site, Al is bonded in a distorted q6 geometry to four equivalent Th and seven Al atoms. Both Al–Al bond lengths are 2.94 Å.