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Title: Materials Data on SiAg6SO8 by Materials Project

Abstract

Ag6SiSO8 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag+2.33+ sites. In the first Ag+2.33+ site, Ag+2.33+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.22 Å) and two longer (2.58 Å) Ag–O bond lengths. In the second Ag+2.33+ site, Ag+2.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.46 Å) and two longer (2.56 Å) Ag–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. S2- is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag+2.33+ and one S2- atom. In the second O2- site, O2- is bonded to three Ag+2.33+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555015
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; SiAg6SO8; Ag-O-S-Si
OSTI Identifier:
1268580
DOI:
10.17188/1268580

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SiAg6SO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268580.
Persson, Kristin, & Project, Materials. Materials Data on SiAg6SO8 by Materials Project. United States. doi:10.17188/1268580.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SiAg6SO8 by Materials Project". United States. doi:10.17188/1268580. https://www.osti.gov/servlets/purl/1268580. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1268580,
title = {Materials Data on SiAg6SO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag6SiSO8 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag+2.33+ sites. In the first Ag+2.33+ site, Ag+2.33+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.22 Å) and two longer (2.58 Å) Ag–O bond lengths. In the second Ag+2.33+ site, Ag+2.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.46 Å) and two longer (2.56 Å) Ag–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. S2- is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag+2.33+ and one S2- atom. In the second O2- site, O2- is bonded to three Ag+2.33+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra.},
doi = {10.17188/1268580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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