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Title: Materials Data on InAgS2 by Materials Project

Abstract

AgInS2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent S2- atoms to form distorted AgS6 octahedra that share corners with twelve equivalent InS6 octahedra, edges with six equivalent AgS6 octahedra, and faces with two equivalent InS6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are four shorter (2.70 Å) and two longer (3.22 Å) Ag–S bond lengths. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with twelve equivalent AgS6 octahedra, edges with six equivalent InS6 octahedra, and faces with two equivalent AgS6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are two shorter (2.67 Å) and four longer (2.68 Å) In–S bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Ag1+ and three equivalent In3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-634855
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; InAgS2; Ag-In-S
OSTI Identifier:
1279484
DOI:
10.17188/1279484

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on InAgS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279484.
Persson, Kristin, & Project, Materials. Materials Data on InAgS2 by Materials Project. United States. doi:10.17188/1279484.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on InAgS2 by Materials Project". United States. doi:10.17188/1279484. https://www.osti.gov/servlets/purl/1279484. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279484,
title = {Materials Data on InAgS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgInS2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent S2- atoms to form distorted AgS6 octahedra that share corners with twelve equivalent InS6 octahedra, edges with six equivalent AgS6 octahedra, and faces with two equivalent InS6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are four shorter (2.70 Å) and two longer (3.22 Å) Ag–S bond lengths. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with twelve equivalent AgS6 octahedra, edges with six equivalent InS6 octahedra, and faces with two equivalent AgS6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are two shorter (2.67 Å) and four longer (2.68 Å) In–S bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Ag1+ and three equivalent In3+ atoms.},
doi = {10.17188/1279484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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