Materials Data on SnAsO4 by Materials Project

Abstract

SnAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SnAsO4 sheets oriented in the (0, 1, 0) direction. Sn3+ is bonded to six O2- atoms to form distorted SnO6 pentagonal pyramids that share corners with six equivalent AsO4 tetrahedra and edges with two equivalent SnO6 pentagonal pyramids. There are a spread of Sn–O bond distances ranging from 2.24–2.33 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent SnO6 pentagonal pyramids. There are a spread of As–O bond distances ranging from 1.72–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sn3+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn3+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sn3+ and one As5+ atom.