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Title: Materials Data on Ag6SbAsS6 by Materials Project

Abstract

Ag6SbAsS6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.86 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.44–2.95 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.50 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one As3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom.

Publication Date:
Other Number(s):
mp-1229145
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; Ag6SbAsS6; Ag-As-S-Sb
OSTI Identifier:
1752753
DOI:
https://doi.org/10.17188/1752753

Citation Formats

The Materials Project. Materials Data on Ag6SbAsS6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752753.
The Materials Project. Materials Data on Ag6SbAsS6 by Materials Project. United States. doi:https://doi.org/10.17188/1752753
The Materials Project. 2020. "Materials Data on Ag6SbAsS6 by Materials Project". United States. doi:https://doi.org/10.17188/1752753. https://www.osti.gov/servlets/purl/1752753. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752753,
title = {Materials Data on Ag6SbAsS6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag6SbAsS6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.86 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.44–2.95 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.50 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one As3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom.},
doi = {10.17188/1752753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}