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Title: Materials Data on Ag(AuS)2 by Materials Project

Abstract

Ag(AuS)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Au+1.50+ sites. In the first Au+1.50+ site, Au+1.50+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.32 Å) and one longer (2.34 Å) Au–S bond lengths. In the second Au+1.50+ site, Au+1.50+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.33 Å. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–2.97 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three Au+1.50+ and one Ag1+ atom to form distorted corner-sharing SAgAu3 tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Au+1.50+ and three equivalent Ag1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35835
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; Ag(AuS)2; Ag-Au-S
OSTI Identifier:
1207084
DOI:
10.17188/1207084

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag(AuS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207084.
Persson, Kristin, & Project, Materials. Materials Data on Ag(AuS)2 by Materials Project. United States. doi:10.17188/1207084.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag(AuS)2 by Materials Project". United States. doi:10.17188/1207084. https://www.osti.gov/servlets/purl/1207084. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1207084,
title = {Materials Data on Ag(AuS)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag(AuS)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Au+1.50+ sites. In the first Au+1.50+ site, Au+1.50+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.32 Å) and one longer (2.34 Å) Au–S bond lengths. In the second Au+1.50+ site, Au+1.50+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.33 Å. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–2.97 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three Au+1.50+ and one Ag1+ atom to form distorted corner-sharing SAgAu3 tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Au+1.50+ and three equivalent Ag1+ atoms.},
doi = {10.17188/1207084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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