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Title: Materials Data on WN2(OF2)2 by Materials Project

Abstract

W(OF2)2N2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four ammonia molecules and two W(OF2)2 clusters. In each W(OF2)2 cluster, W6+ is bonded in a distorted pentagonal pyramidal geometry to two O2- and four F1- atoms. Both W–O bond lengths are 1.91 Å. All W–F bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and one O2- atom. The O–O bond length is 1.51 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and one O2- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a 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.

Authors:
Publication Date:
Other Number(s):
mp-1216322
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(OF2)2; F-N-O-W
OSTI Identifier:
1698601
DOI:
https://doi.org/10.17188/1698601

Citation Formats

The Materials Project. Materials Data on WN2(OF2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698601.
The Materials Project. Materials Data on WN2(OF2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1698601
The Materials Project. 2020. "Materials Data on WN2(OF2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1698601. https://www.osti.gov/servlets/purl/1698601. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1698601,
title = {Materials Data on WN2(OF2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {W(OF2)2N2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four ammonia molecules and two W(OF2)2 clusters. In each W(OF2)2 cluster, W6+ is bonded in a distorted pentagonal pyramidal geometry to two O2- and four F1- atoms. Both W–O bond lengths are 1.91 Å. All W–F bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and one O2- atom. The O–O bond length is 1.51 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and one O2- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a 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.},
doi = {10.17188/1698601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}