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Title: Materials Data on AgSbS2 by Materials Project

Abstract

AgSbS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are two shorter (2.41 Å) and two longer (3.07 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Ag–S bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.56 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ag1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Ag1+ and two equivalent Sb3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3922
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; AgSbS2; Ag-S-Sb
OSTI Identifier:
1207628
DOI:
10.17188/1207628

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgSbS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207628.
Persson, Kristin, & Project, Materials. Materials Data on AgSbS2 by Materials Project. United States. doi:10.17188/1207628.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgSbS2 by Materials Project". United States. doi:10.17188/1207628. https://www.osti.gov/servlets/purl/1207628. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207628,
title = {Materials Data on AgSbS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgSbS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are two shorter (2.41 Å) and two longer (3.07 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Ag–S bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.56 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ag1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Ag1+ and two equivalent Sb3+ atoms.},
doi = {10.17188/1207628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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