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Title: Materials Data on BH11C4BrNF4 by Materials Project

Abstract

BF4C4NH11Br is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two ac1l8ua7 molecules and two BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.41–1.43 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 single-bond geometry to one B3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554318
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; BH11C4BrNF4; B-Br-C-F-H-N
OSTI Identifier:
1267850
DOI:
10.17188/1267850

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BH11C4BrNF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267850.
Persson, Kristin, & Project, Materials. Materials Data on BH11C4BrNF4 by Materials Project. United States. doi:10.17188/1267850.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BH11C4BrNF4 by Materials Project". United States. doi:10.17188/1267850. https://www.osti.gov/servlets/purl/1267850. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1267850,
title = {Materials Data on BH11C4BrNF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BF4C4NH11Br is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two ac1l8ua7 molecules and two BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.41–1.43 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 single-bond geometry to one B3+ atom.},
doi = {10.17188/1267850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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