skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on AuBr3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201418· OSTI ID:1201418

AuBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tribromogold molecules. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Au–Br bond distances ranging from 2.44–2.52 Å. In the second Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Au–Br bond distances ranging from 2.45–2.54 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two Au3+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Au3+ atom. In the sixth Br1- site, Br1- is bonded in an L-shaped geometry to two Au3+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1201418
Report Number(s):
mp-27213
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on BiAuBr6 by Materials Project
Dataset · Wed Jul 15 00:00:00 EDT 2020 · OSTI ID:1201418

Materials Data on Hg8Br3O4 by Materials Project
Dataset · Wed Apr 29 00:00:00 EDT 2020 · OSTI ID:1201418

Materials Data on AuSeBr by Materials Project
Dataset · Mon Jul 20 00:00:00 EDT 2020 · OSTI ID:1201418