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Title: Materials Data on NbNOF4 by Materials Project

Abstract

(NbOF4)2N2 crystallizes in the tetragonal P4/nmm space group. The structure is one-dimensional and consists of two ammonia molecules and two NbOF4 ribbons oriented in the (0, 0, 1) direction. In each NbOF4 ribbon, Nb5+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (1.90 Å) and one longer (2.19 Å) Nb–O bond lengths. All Nb–F bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to two equivalent Nb5+ atoms. F1- is bonded in a single-bond geometry to one Nb5+ atom.

Publication Date:
Other Number(s):
mp-1105030
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; NbNOF4; F-N-Nb-O
OSTI Identifier:
1707260
DOI:
https://doi.org/10.17188/1707260

Citation Formats

The Materials Project. Materials Data on NbNOF4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1707260.
The Materials Project. Materials Data on NbNOF4 by Materials Project. United States. doi:https://doi.org/10.17188/1707260
The Materials Project. 2018. "Materials Data on NbNOF4 by Materials Project". United States. doi:https://doi.org/10.17188/1707260. https://www.osti.gov/servlets/purl/1707260. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1707260,
title = {Materials Data on NbNOF4 by Materials Project},
author = {The Materials Project},
abstractNote = {(NbOF4)2N2 crystallizes in the tetragonal P4/nmm space group. The structure is one-dimensional and consists of two ammonia molecules and two NbOF4 ribbons oriented in the (0, 0, 1) direction. In each NbOF4 ribbon, Nb5+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (1.90 Å) and one longer (2.19 Å) Nb–O bond lengths. All Nb–F bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to two equivalent Nb5+ atoms. F1- is bonded in a single-bond geometry to one Nb5+ atom.},
doi = {10.17188/1707260},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}