Materials Data on AlP2 by Materials Project

Abstract

AlP2 crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. Al3+ is bonded in a 5-coordinate geometry to five P+1.50- atoms. There are a spread of Al–P bond distances ranging from 2.38–2.92 Å. There are four inequivalent P+1.50- sites. In the first P+1.50- site, P+1.50- is bonded in a distorted linear geometry to four equivalent Al3+ and two equivalent P+1.50- atoms. Both P–P bond lengths are 2.40 Å. In the second P+1.50- site, P+1.50- is bonded in a distorted bent 120 degrees geometry to two equivalent Al3+ and two equivalent P+1.50- atoms. Both P–P bond lengths are 2.38 Å. In the third P+1.50- site, P+1.50- is bonded in a distorted L-shaped geometry to two equivalent Al3+ and two equivalent P+1.50- atoms. In the fourth P+1.50- site, P+1.50- is bonded in a distorted water-like geometry to two equivalent Al3+ and two equivalent P+1.50- atoms.