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Title: Materials Data on Ag3SI by Materials Project

Abstract

Ag3SI is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ag1+ is bonded in a 3-coordinate geometry to two equivalent S2- and three equivalent I1- atoms. Both Ag–S bond lengths are 2.56 Å. There are one shorter (3.01 Å) and two longer (3.55 Å) Ag–I bond lengths. S2- is bonded to six equivalent Ag1+ atoms to form distorted corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles are 25°. I1- is bonded in a 3-coordinate geometry to nine equivalent Ag1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-676561
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; Ag3SI; Ag-I-S
OSTI Identifier:
1283094
DOI:
https://doi.org/10.17188/1283094

Citation Formats

The Materials Project. Materials Data on Ag3SI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283094.
The Materials Project. Materials Data on Ag3SI by Materials Project. United States. doi:https://doi.org/10.17188/1283094
The Materials Project. 2020. "Materials Data on Ag3SI by Materials Project". United States. doi:https://doi.org/10.17188/1283094. https://www.osti.gov/servlets/purl/1283094. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1283094,
title = {Materials Data on Ag3SI by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3SI is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ag1+ is bonded in a 3-coordinate geometry to two equivalent S2- and three equivalent I1- atoms. Both Ag–S bond lengths are 2.56 Å. There are one shorter (3.01 Å) and two longer (3.55 Å) Ag–I bond lengths. S2- is bonded to six equivalent Ag1+ atoms to form distorted corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles are 25°. I1- is bonded in a 3-coordinate geometry to nine equivalent Ag1+ atoms.},
doi = {10.17188/1283094},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}