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Title: Materials Data on NbV3F6 by Materials Project

Abstract

NbV2F4VF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one difluorovanadium molecule and one NbV2F4 sheet oriented in the (0, 0, 1) direction. In the NbV2F4 sheet, Nb is bonded in a distorted rectangular see-saw-like geometry to four F atoms. All Nb–F bond lengths are 2.15 Å. There are two inequivalent V sites. In the first V site, V is bonded in a linear geometry to two equivalent F atoms. Both V–F bond lengths are 1.96 Å. In the second V site, V is bonded in a linear geometry to two equivalent F atoms. Both V–F bond lengths are 1.96 Å. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Nb and one V atom. In the second F site, F is bonded in a water-like geometry to one Nb and one V atom.

Publication Date:
Other Number(s):
mp-1210162
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; NbV3F6; F-Nb-V
OSTI Identifier:
1684148
DOI:
https://doi.org/10.17188/1684148

Citation Formats

The Materials Project. Materials Data on NbV3F6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684148.
The Materials Project. Materials Data on NbV3F6 by Materials Project. United States. doi:https://doi.org/10.17188/1684148
The Materials Project. 2019. "Materials Data on NbV3F6 by Materials Project". United States. doi:https://doi.org/10.17188/1684148. https://www.osti.gov/servlets/purl/1684148. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684148,
title = {Materials Data on NbV3F6 by Materials Project},
author = {The Materials Project},
abstractNote = {NbV2F4VF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one difluorovanadium molecule and one NbV2F4 sheet oriented in the (0, 0, 1) direction. In the NbV2F4 sheet, Nb is bonded in a distorted rectangular see-saw-like geometry to four F atoms. All Nb–F bond lengths are 2.15 Å. There are two inequivalent V sites. In the first V site, V is bonded in a linear geometry to two equivalent F atoms. Both V–F bond lengths are 1.96 Å. In the second V site, V is bonded in a linear geometry to two equivalent F atoms. Both V–F bond lengths are 1.96 Å. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Nb and one V atom. In the second F site, F is bonded in a water-like geometry to one Nb and one V atom.},
doi = {10.17188/1684148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}