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Title: Materials Data on AsAuO3 by Materials Project

Abstract

AuAsO3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two AuAsO3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.06 Å. In the second Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.68–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Au1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au1+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms.

Publication Date:
Other Number(s):
mp-755240
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; AsAuO3; As-Au-O
OSTI Identifier:
1289844
DOI:
10.17188/1289844

Citation Formats

The Materials Project. Materials Data on AsAuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289844.
The Materials Project. Materials Data on AsAuO3 by Materials Project. United States. doi:10.17188/1289844.
The Materials Project. 2020. "Materials Data on AsAuO3 by Materials Project". United States. doi:10.17188/1289844. https://www.osti.gov/servlets/purl/1289844. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1289844,
title = {Materials Data on AsAuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {AuAsO3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two AuAsO3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.06 Å. In the second Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.68–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Au1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au1+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms.},
doi = {10.17188/1289844},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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