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Title: Materials Data on NbOF3 by Materials Project

Abstract

NbOF3 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two NbOF3 sheets oriented in the (0, 0, 1) direction. Nb5+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Nb–O bond lengths are 1.94 Å. There is two shorter (1.92 Å) and two longer (2.06 Å) Nb–F bond length. O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Nb5+ atoms.

Publication Date:
Other Number(s):
mp-1101450
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; NbOF3; F-Nb-O
OSTI Identifier:
1747254
DOI:
10.17188/1747254

Citation Formats

The Materials Project. Materials Data on NbOF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747254.
The Materials Project. Materials Data on NbOF3 by Materials Project. United States. doi:10.17188/1747254.
The Materials Project. 2020. "Materials Data on NbOF3 by Materials Project". United States. doi:10.17188/1747254. https://www.osti.gov/servlets/purl/1747254. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747254,
title = {Materials Data on NbOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NbOF3 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two NbOF3 sheets oriented in the (0, 0, 1) direction. Nb5+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Nb–O bond lengths are 1.94 Å. There is two shorter (1.92 Å) and two longer (2.06 Å) Nb–F bond length. O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Nb5+ atoms.},
doi = {10.17188/1747254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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