Materials Data on SnP2(NO3)2 by Materials Project

Abstract

SnP2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.19–2.40 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 3.11–3.16 Å. In the second N1- site, N1- is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of N–O bond distances ranging from 2.92–3.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+, one P5+, and one N1- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ and two N1- atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+, one P5+, and one N1- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ and three N1- atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+, one P5+, and one N1- atom.