Materials Data on SbN2Cl3F2 by Materials Project

Abstract

N2SbCl3F2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules and eight SbCl3F2 clusters. In each SbCl3F2 cluster, Sb3+ is bonded in a distorted square pyramidal geometry to three Cl1- and two F1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.32–2.37 Å. There is one shorter (1.89 Å) and one longer (1.92 Å) Sb–F bond length. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.