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Title: Materials Data on WN2(OF4)2 by Materials Project

Abstract

WF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four WF8 clusters. In each WF8 cluster, W6+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of W–F bond distances ranging from 1.95–2.01 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1198604
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; WN2(OF4)2; F-N-O-W
OSTI Identifier:
1676298
DOI:
https://doi.org/10.17188/1676298

Citation Formats

The Materials Project. Materials Data on WN2(OF4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676298.
The Materials Project. Materials Data on WN2(OF4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676298
The Materials Project. 2019. "Materials Data on WN2(OF4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676298. https://www.osti.gov/servlets/purl/1676298. Pub date:Fri Nov 15 00:00:00 EST 2019
@article{osti_1676298,
title = {Materials Data on WN2(OF4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {WF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four WF8 clusters. In each WF8 cluster, W6+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of W–F bond distances ranging from 1.95–2.01 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom.},
doi = {10.17188/1676298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {11}
}