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Title: Materials Data on InAgSe2 by Materials Project

Abstract

AgInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ag–Se bond lengths are 2.88 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent AgSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All In–Se bond lengths are 2.82 Å. Se2- is bonded to three equivalent Ag1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SeIn3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1007685
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; InAgSe2; Ag-In-Se
OSTI Identifier:
1324716
DOI:
https://doi.org/10.17188/1324716

Citation Formats

The Materials Project. Materials Data on InAgSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1324716.
The Materials Project. Materials Data on InAgSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1324716
The Materials Project. 2020. "Materials Data on InAgSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1324716. https://www.osti.gov/servlets/purl/1324716. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1324716,
title = {Materials Data on InAgSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ag–Se bond lengths are 2.88 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent AgSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All In–Se bond lengths are 2.82 Å. Se2- is bonded to three equivalent Ag1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SeIn3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1324716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}