Materials Data on AsSXeNF10 by Materials Project

Abstract

XeAsNSF10 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight XeAsNSF10 clusters. Xe is bonded in a linear geometry to one N and one F atom. The Xe–N bond length is 2.18 Å. The Xe–F bond length is 2.69 Å. As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.76–1.83 Å. N is bonded in a distorted bent 120 degrees geometry to one Xe and one S atom. The N–S bond length is 1.57 Å. S is bonded in a trigonal bipyramidal geometry to one N and four F atoms. There are a spread of S–F bond distances ranging from 1.56–1.62 Å. There are ten inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one S atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one S atom. In the fifth F site, F is bonded in a single-bond geometry to one S atom. In the sixth F site, F is bonded in a single-bond geometry to one S atom. In the seventh F site, F is bonded in a single-bond geometry to one As atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe and one As atom. In the ninth F site, F is bonded in a single-bond geometry to one As atom. In the tenth F site, F is bonded in a single-bond geometry to one As atom.