Materials Data on AlAs2 by Materials Project

Abstract

AlAs2 crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. Al3+ is bonded to four As+1.50- atoms to form distorted corner-sharing AlAs4 tetrahedra. There are a spread of Al–As bond distances ranging from 2.49–2.55 Å. There are four inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a distorted linear geometry to two equivalent Al3+ atoms. In the second As+1.50- site, As+1.50- is bonded in a distorted bent 120 degrees geometry to two equivalent Al3+ atoms. In the third As+1.50- site, As+1.50- is bonded in a distorted water-like geometry to two equivalent Al3+ atoms. In the fourth As+1.50- site, As+1.50- is bonded in a distorted L-shaped geometry to two equivalent Al3+ atoms.