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Title: Materials Data on NbO2F by Materials Project

Abstract

NbO2F crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Nb5+ is bonded to four O2- and one F1- atom to form corner-sharing NbO4F trigonal bipyramids. There are a spread of Nb–O bond distances ranging from 1.83–2.09 Å. The Nb–F bond length is 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. F1- is bonded in a single-bond geometry to one Nb5+ atom.

Publication Date:
Other Number(s):
mp-766094
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; NbO2F; F-Nb-O
OSTI Identifier:
1296544
DOI:
10.17188/1296544

Citation Formats

The Materials Project. Materials Data on NbO2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1296544.
The Materials Project. Materials Data on NbO2F by Materials Project. United States. doi:10.17188/1296544.
The Materials Project. 2020. "Materials Data on NbO2F by Materials Project". United States. doi:10.17188/1296544. https://www.osti.gov/servlets/purl/1296544. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1296544,
title = {Materials Data on NbO2F by Materials Project},
author = {The Materials Project},
abstractNote = {NbO2F crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Nb5+ is bonded to four O2- and one F1- atom to form corner-sharing NbO4F trigonal bipyramids. There are a spread of Nb–O bond distances ranging from 1.83–2.09 Å. The Nb–F bond length is 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ atoms. F1- is bonded in a single-bond geometry to one Nb5+ atom.},
doi = {10.17188/1296544},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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