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Title: Materials Data on InAgS2 by Materials Project

Abstract

AgInS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.45 Å) and three longer (2.73 Å) Ag–S bond lengths. In3+ is bonded to six S2- atoms to form edge-sharing InS6 octahedra. There are three shorter (2.61 Å) and three longer (2.74 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Ag1+ and three equivalent In3+ atoms to form distorted corner-sharing SIn3Ag trigonal pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Ag1+ and three equivalent In3+ atoms.

Publication Date:
Other Number(s):
mp-1097000
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:
1656125
DOI:
https://doi.org/10.17188/1656125

Citation Formats

The Materials Project. Materials Data on InAgS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656125.
The Materials Project. Materials Data on InAgS2 by Materials Project. United States. doi:https://doi.org/10.17188/1656125
The Materials Project. 2020. "Materials Data on InAgS2 by Materials Project". United States. doi:https://doi.org/10.17188/1656125. https://www.osti.gov/servlets/purl/1656125. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656125,
title = {Materials Data on InAgS2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgInS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.45 Å) and three longer (2.73 Å) Ag–S bond lengths. In3+ is bonded to six S2- atoms to form edge-sharing InS6 octahedra. There are three shorter (2.61 Å) and three longer (2.74 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Ag1+ and three equivalent In3+ atoms to form distorted corner-sharing SIn3Ag trigonal pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Ag1+ and three equivalent In3+ atoms.},
doi = {10.17188/1656125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Works referenced in this record:

Synthesis of AgInS2 nanostructure by microwave–ultrasonic method and characterization and photocatalytic properties
journal, October 2015


X-ray diffraction and compositional studies of AgInS2 thin films obtained by spray pyrolysis
journal, November 2008