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Title: Materials Data on AgAsS2 by Materials Project

Abstract

AgAsS2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.64–3.37 Å. As3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ag1+ and two equivalent As3+ atoms. In the second S2- site, S2- is bonded to three equivalent Ag1+ and one As3+ atom to form distorted corner-sharing SAg3As tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-13740
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; AgAsS2; Ag-As-S
OSTI Identifier:
1189737
DOI:
https://doi.org/10.17188/1189737

Citation Formats

The Materials Project. Materials Data on AgAsS2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1189737.
The Materials Project. Materials Data on AgAsS2 by Materials Project. United States. doi:https://doi.org/10.17188/1189737
The Materials Project. 2017. "Materials Data on AgAsS2 by Materials Project". United States. doi:https://doi.org/10.17188/1189737. https://www.osti.gov/servlets/purl/1189737. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1189737,
title = {Materials Data on AgAsS2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgAsS2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.64–3.37 Å. As3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.25–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ag1+ and two equivalent As3+ atoms. In the second S2- site, S2- is bonded to three equivalent Ag1+ and one As3+ atom to form distorted corner-sharing SAg3As tetrahedra.},
doi = {10.17188/1189737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 11 00:00:00 EDT 2017},
month = {Thu May 11 00:00:00 EDT 2017}
}