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Title: Materials Data on BeH4NF3 by Materials Project

Abstract

BeF3NH4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ammonium molecules and four BeF3 clusters. In each BeF3 cluster, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.47–1.50 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. 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 single-bond geometry to one Be2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-723049
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; BeH4NF3; Be-F-H-N
OSTI Identifier:
1287586
DOI:
10.17188/1287586

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BeH4NF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287586.
Persson, Kristin, & Project, Materials. Materials Data on BeH4NF3 by Materials Project. United States. doi:10.17188/1287586.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BeH4NF3 by Materials Project". United States. doi:10.17188/1287586. https://www.osti.gov/servlets/purl/1287586. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1287586,
title = {Materials Data on BeH4NF3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BeF3NH4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ammonium molecules and four BeF3 clusters. In each BeF3 cluster, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.47–1.50 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. 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 single-bond geometry to one Be2+ atom.},
doi = {10.17188/1287586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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