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Title: Materials Data on AuBrF6 by Materials Project

Abstract

AuBrF6 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two AuBrF6 ribbons oriented in the (0, 1, 0) direction. Au1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.94 Å) and two longer (2.02 Å) Au–F bond length. Br5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Br–F bond distances ranging from 1.79–2.16 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au1+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au1+ and one Br5+ atom. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to one Au1+ and one Br5+ atom.

Publication Date:
Other Number(s):
mp-30159
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; AuBrF6; Au-Br-F
OSTI Identifier:
1204578
DOI:
10.17188/1204578

Citation Formats

The Materials Project. Materials Data on AuBrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204578.
The Materials Project. Materials Data on AuBrF6 by Materials Project. United States. doi:10.17188/1204578.
The Materials Project. 2020. "Materials Data on AuBrF6 by Materials Project". United States. doi:10.17188/1204578. https://www.osti.gov/servlets/purl/1204578. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204578,
title = {Materials Data on AuBrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {AuBrF6 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two AuBrF6 ribbons oriented in the (0, 1, 0) direction. Au1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.94 Å) and two longer (2.02 Å) Au–F bond length. Br5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Br–F bond distances ranging from 1.79–2.16 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au1+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au1+ and one Br5+ atom. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to one Au1+ and one Br5+ atom.},
doi = {10.17188/1204578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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