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Title: Materials Data on NbOF2 by Materials Project

Abstract

NbOF2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two NbOF2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to two equivalent O2- and four equivalent F1- atoms to form a mixture of edge and corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Nb–O bond lengths are 1.94 Å. All Nb–F bond lengths are 2.13 Å. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. F1- is bonded in a water-like geometry to two equivalent Nb4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-752474
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; NbOF2; F-Nb-O
OSTI Identifier:
1288607
DOI:
https://doi.org/10.17188/1288607

Citation Formats

The Materials Project. Materials Data on NbOF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288607.
The Materials Project. Materials Data on NbOF2 by Materials Project. United States. doi:https://doi.org/10.17188/1288607
The Materials Project. 2020. "Materials Data on NbOF2 by Materials Project". United States. doi:https://doi.org/10.17188/1288607. https://www.osti.gov/servlets/purl/1288607. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1288607,
title = {Materials Data on NbOF2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbOF2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two NbOF2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to two equivalent O2- and four equivalent F1- atoms to form a mixture of edge and corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Nb–O bond lengths are 1.94 Å. All Nb–F bond lengths are 2.13 Å. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. F1- is bonded in a water-like geometry to two equivalent Nb4+ atoms.},
doi = {10.17188/1288607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}