Materials Data on SnPNO4 by Materials Project

Abstract

SnPNO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sn4+ is bonded to one N1- and four O2- atoms to form SnNO4 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. The Sn–N bond length is 2.48 Å. There are a spread of Sn–O bond distances ranging from 2.05–2.12 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnNO4 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. N1- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one N1- atom. The N–N bond length is 1.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom.