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Title: Materials Data on BeNF3 by Materials Project

Abstract

BeF2NF crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of four monofluoroamine molecules and two BeF2 ribbons oriented in the (0, 1, 0) direction. In each BeF2 ribbon, there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.40–1.54 Å. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.41–1.54 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom.

Publication Date:
Other Number(s):
mp-1214301
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; BeNF3; Be-F-N
OSTI Identifier:
1757802
DOI:
https://doi.org/10.17188/1757802

Citation Formats

The Materials Project. Materials Data on BeNF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757802.
The Materials Project. Materials Data on BeNF3 by Materials Project. United States. doi:https://doi.org/10.17188/1757802
The Materials Project. 2020. "Materials Data on BeNF3 by Materials Project". United States. doi:https://doi.org/10.17188/1757802. https://www.osti.gov/servlets/purl/1757802. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757802,
title = {Materials Data on BeNF3 by Materials Project},
author = {The Materials Project},
abstractNote = {BeF2NF crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of four monofluoroamine molecules and two BeF2 ribbons oriented in the (0, 1, 0) direction. In each BeF2 ribbon, there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.40–1.54 Å. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.41–1.54 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Be2+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom.},
doi = {10.17188/1757802},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}