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Title: Materials Data on AuSO4 by Materials Project

Abstract

AuSO4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AuSO4 sheets oriented in the (0, 0, 1) direction. Au2+ is bonded in a T-shaped geometry to three O2- atoms. There are two shorter (2.04 Å) and one longer (2.17 Å) Au–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30003
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; AuSO4; Au-O-S
OSTI Identifier:
1204442
DOI:
https://doi.org/10.17188/1204442

Citation Formats

The Materials Project. Materials Data on AuSO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204442.
The Materials Project. Materials Data on AuSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1204442
The Materials Project. 2020. "Materials Data on AuSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1204442. https://www.osti.gov/servlets/purl/1204442. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1204442,
title = {Materials Data on AuSO4 by Materials Project},
author = {The Materials Project},
abstractNote = {AuSO4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AuSO4 sheets oriented in the (0, 0, 1) direction. Au2+ is bonded in a T-shaped geometry to three O2- atoms. There are two shorter (2.04 Å) and one longer (2.17 Å) Au–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom.},
doi = {10.17188/1204442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}