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Title: Materials Data on NbF4 by Materials Project

Abstract

NbF4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two NbF4 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.91 Å) and four longer (2.09 Å) Nb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Nb4+ atoms.

Publication Date:
Other Number(s):
mp-1416
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; NbF4; F-Nb
OSTI Identifier:
1190191
DOI:
https://doi.org/10.17188/1190191

Citation Formats

The Materials Project. Materials Data on NbF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190191.
The Materials Project. Materials Data on NbF4 by Materials Project. United States. doi:https://doi.org/10.17188/1190191
The Materials Project. 2020. "Materials Data on NbF4 by Materials Project". United States. doi:https://doi.org/10.17188/1190191. https://www.osti.gov/servlets/purl/1190191. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1190191,
title = {Materials Data on NbF4 by Materials Project},
author = {The Materials Project},
abstractNote = {NbF4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two NbF4 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.91 Å) and four longer (2.09 Å) Nb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Nb4+ atoms.},
doi = {10.17188/1190191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}