Materials Data on AlSiNi2 by Materials Project

Abstract

Ni2AlSi crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Al and four equivalent Si atoms. There are a spread of Ni–Al bond distances ranging from 2.43–2.46 Å. There are a spread of Ni–Si bond distances ranging from 2.39–2.49 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to four equivalent Al and three equivalent Si atoms. There are a spread of Ni–Al bond distances ranging from 2.44–2.49 Å. There are a spread of Ni–Si bond distances ranging from 2.32–2.48 Å. Al is bonded in a 7-coordinate geometry to seven Ni and four equivalent Si atoms. There are a spread of Al–Si bond distances ranging from 2.79–2.82 Å. Si is bonded in a 11-coordinate geometry to seven Ni and four equivalent Al atoms.