skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BNF4 by Materials Project

Abstract

NBF4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NBF4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.35–1.51 Å. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one B3+ and one N1+ atom.

Publication Date:
Other Number(s):
mp-1182455
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; BNF4; B-F-N
OSTI Identifier:
1672751
DOI:
https://doi.org/10.17188/1672751

Citation Formats

The Materials Project. Materials Data on BNF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672751.
The Materials Project. Materials Data on BNF4 by Materials Project. United States. doi:https://doi.org/10.17188/1672751
The Materials Project. 2020. "Materials Data on BNF4 by Materials Project". United States. doi:https://doi.org/10.17188/1672751. https://www.osti.gov/servlets/purl/1672751. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672751,
title = {Materials Data on BNF4 by Materials Project},
author = {The Materials Project},
abstractNote = {NBF4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NBF4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.35–1.51 Å. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one B3+ and one N1+ atom.},
doi = {10.17188/1672751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}