Materials Data on SnPO4 by Materials Project

Abstract

SnPO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SnPO4 sheet oriented in the (1, 0, 0) direction. Sn3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.09–2.24 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.56–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one P5+ atom.