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Title: Materials Data on Ag3SI by Materials Project

Abstract

Ag3SI crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.52 Å) and one longer (2.61 Å) Ag–S bond lengths. Both Ag–I bond lengths are 3.12 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. Both Ag–S bond lengths are 2.55 Å. There are one shorter (3.01 Å) and one longer (3.21 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.58 Å) and one longer (2.60 Å) Ag–S bond lengths. Both Ag–I bond lengths are 3.15 Å. S2- is bonded to six Ag1+ atoms to form distorted corner-sharing SAg6 pentagonal pyramids. I1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-674981
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:
1282540
DOI:
https://doi.org/10.17188/1282540

Citation Formats

The Materials Project. Materials Data on Ag3SI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282540.
The Materials Project. Materials Data on Ag3SI by Materials Project. United States. doi:https://doi.org/10.17188/1282540
The Materials Project. 2020. "Materials Data on Ag3SI by Materials Project". United States. doi:https://doi.org/10.17188/1282540. https://www.osti.gov/servlets/purl/1282540. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282540,
title = {Materials Data on Ag3SI by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3SI crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.52 Å) and one longer (2.61 Å) Ag–S bond lengths. Both Ag–I bond lengths are 3.12 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. Both Ag–S bond lengths are 2.55 Å. There are one shorter (3.01 Å) and one longer (3.21 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.58 Å) and one longer (2.60 Å) Ag–S bond lengths. Both Ag–I bond lengths are 3.15 Å. S2- is bonded to six Ag1+ atoms to form distorted corner-sharing SAg6 pentagonal pyramids. I1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.},
doi = {10.17188/1282540},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}