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Title: Materials Data on Ag3SI by Materials Project

Abstract

Ag3SI crystallizes in the monoclinic P2_1 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 (2.59 Å) and one longer (2.61 Å) Ag–S bond lengths. There are one shorter (3.03 Å) and one longer (3.09 Å) Ag–I bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.55 Å) and one longer (2.58 Å) Ag–S bond lengths. There are one shorter (3.09 Å) and one longer (3.26 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.56 Å) and one longer (2.57 Å) Ag–S bond lengths. There are one shorter (3.07 Å) and one longer (3.19 Å) Ag–I bond lengths. 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.

Publication Date:
Other Number(s):
mp-675879
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; Ag3SI; Ag-I-S
OSTI Identifier:
1282872
DOI:
https://doi.org/10.17188/1282872

Citation Formats

The Materials Project. Materials Data on Ag3SI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282872.
The Materials Project. Materials Data on Ag3SI by Materials Project. United States. doi:https://doi.org/10.17188/1282872
The Materials Project. 2020. "Materials Data on Ag3SI by Materials Project". United States. doi:https://doi.org/10.17188/1282872. https://www.osti.gov/servlets/purl/1282872. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1282872,
title = {Materials Data on Ag3SI by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3SI crystallizes in the monoclinic P2_1 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 (2.59 Å) and one longer (2.61 Å) Ag–S bond lengths. There are one shorter (3.03 Å) and one longer (3.09 Å) Ag–I bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.55 Å) and one longer (2.58 Å) Ag–S bond lengths. There are one shorter (3.09 Å) and one longer (3.26 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. There are one shorter (2.56 Å) and one longer (2.57 Å) Ag–S bond lengths. There are one shorter (3.07 Å) and one longer (3.19 Å) Ag–I bond lengths. 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 = {10.17188/1282872},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}