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Title: Materials Data on B5F6 by Materials Project

Abstract

B5F6 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four B5F6 clusters. there are three inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.60–1.79 Å. In the second B site, B is bonded in a bent 120 degrees geometry to two equivalent B and two equivalent F atoms. Both B–F bond lengths are 1.35 Å. In the third B site, B is bonded in a bent 120 degrees geometry to one B and two F atoms. There is one shorter (1.33 Å) and one longer (1.34 Å) B–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a single-bond geometry to one B atom.

Authors:
Publication Date:
Other Number(s):
mp-30936
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; B5F6; B-F
OSTI Identifier:
1205277
DOI:
https://doi.org/10.17188/1205277

Citation Formats

The Materials Project. Materials Data on B5F6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205277.
The Materials Project. Materials Data on B5F6 by Materials Project. United States. doi:https://doi.org/10.17188/1205277
The Materials Project. 2020. "Materials Data on B5F6 by Materials Project". United States. doi:https://doi.org/10.17188/1205277. https://www.osti.gov/servlets/purl/1205277. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1205277,
title = {Materials Data on B5F6 by Materials Project},
author = {The Materials Project},
abstractNote = {B5F6 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four B5F6 clusters. there are three inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.60–1.79 Å. In the second B site, B is bonded in a bent 120 degrees geometry to two equivalent B and two equivalent F atoms. Both B–F bond lengths are 1.35 Å. In the third B site, B is bonded in a bent 120 degrees geometry to one B and two F atoms. There is one shorter (1.33 Å) and one longer (1.34 Å) B–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a single-bond geometry to one B atom.},
doi = {10.17188/1205277},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}