skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on AsSXeNF10 by Materials Project

Abstract

XeNSF4AsF6 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight AsF6 clusters and eight XeNSF4 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There is three shorter (1.77 Å) and three longer (1.78 Å) As–F bond length. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As 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 As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeNSF4 cluster, Xe is bonded in a linear geometry to one N and one F atom. The Xe–N bond length is 2.27 Å. The Xe–F bond length is 2.02 Å. N is bonded in a distorted bent 150 degrees geometry to one Xe and onemore » S atom. The N–S bond length is 1.43 Å. S is bonded in a distorted tetrahedral geometry to one N and three F atoms. All S–F bond lengths are 1.54 Å. There are four 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 S atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one S atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554788
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AsSXeNF10; As-F-N-S-Xe
OSTI Identifier:
1268102
DOI:
10.17188/1268102

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AsSXeNF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268102.
Persson, Kristin, & Project, Materials. Materials Data on AsSXeNF10 by Materials Project. United States. doi:10.17188/1268102.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AsSXeNF10 by Materials Project". United States. doi:10.17188/1268102. https://www.osti.gov/servlets/purl/1268102. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268102,
title = {Materials Data on AsSXeNF10 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {XeNSF4AsF6 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight AsF6 clusters and eight XeNSF4 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There is three shorter (1.77 Å) and three longer (1.78 Å) As–F bond length. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As 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 As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeNSF4 cluster, Xe is bonded in a linear geometry to one N and one F atom. The Xe–N bond length is 2.27 Å. The Xe–F bond length is 2.02 Å. N is bonded in a distorted bent 150 degrees geometry to one Xe and one S atom. The N–S bond length is 1.43 Å. S is bonded in a distorted tetrahedral geometry to one N and three F atoms. All S–F bond lengths are 1.54 Å. There are four 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 S atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one S atom.},
doi = {10.17188/1268102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: