U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30159
- 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; AuBrF6; Au-Br-F
- OSTI Identifier:
- 1204578
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1204578
The Materials Project. 2020.
"Materials Data on AuBrF6 by Materials Project". United States. doi:https://doi.org/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}
}