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Title: Materials Data on Nb(NF4)3 by Materials Project

Abstract

NbNF8(NF2)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four difluoroamine molecules and two NbNF8 ribbons oriented in the (0, 0, 1) direction. In each NbNF8 ribbon, Nb5+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (1.99 Å) and four longer (2.17 Å) Nb–F bond lengths. N+2.33+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All N–F bond lengths are 1.76 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a water-like geometry to one Nb5+ and one N+2.33+ atom.

Publication Date:
Other Number(s):
mp-1210548
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; Nb(NF4)3; F-N-Nb
OSTI Identifier:
1686649
DOI:
https://doi.org/10.17188/1686649

Citation Formats

The Materials Project. Materials Data on Nb(NF4)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1686649.
The Materials Project. Materials Data on Nb(NF4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1686649
The Materials Project. 2019. "Materials Data on Nb(NF4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1686649. https://www.osti.gov/servlets/purl/1686649. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1686649,
title = {Materials Data on Nb(NF4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {NbNF8(NF2)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four difluoroamine molecules and two NbNF8 ribbons oriented in the (0, 0, 1) direction. In each NbNF8 ribbon, Nb5+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (1.99 Å) and four longer (2.17 Å) Nb–F bond lengths. N+2.33+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All N–F bond lengths are 1.76 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a water-like geometry to one Nb5+ and one N+2.33+ atom.},
doi = {10.17188/1686649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}