Materials Data on SnH2N2O3F2 by Materials Project

Abstract

NH2SnNO3F2 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four ammonia molecules and two SnNO3F2 clusters. In each SnNO3F2 cluster, Sn4+ is bonded in a 4-coordinate geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.46 Å. There are a spread of Sn–F bond distances ranging from 2.00–2.23 Å. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.33 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn4+ atoms.