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Title: Materials Data on SiAg8(SO2)2 by Materials Project

Abstract

Ag8Si(SO2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.54 Å. Both Ag–O bond lengths are 3.06 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.34 Å. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent O2- atoms. Both Ag–S bond lengths are 2.71 Å. Both Ag–O bond lengths are 2.68 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SAg6O2 hexagonal bipyramids. All Si–O bond lengths are 1.66 Å. S2- is bonded to six Ag1+ and two equivalent O2- atoms to form distorted SAg6O2 hexagonal bipyramids that share corners with four equivalent SAg6O2 hexagonal bipyramids and corners with two equivalent SiO4 tetrahedra. Both S–O bond lengths are 2.56 Å. O2- is bonded in a 1-coordinate geometry to four Ag1+, onemore » Si4+, and one S2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-559745
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; SiAg8(SO2)2; Ag-O-S-Si
OSTI Identifier:
1271023
DOI:
https://doi.org/10.17188/1271023

Citation Formats

The Materials Project. Materials Data on SiAg8(SO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271023.
The Materials Project. Materials Data on SiAg8(SO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271023
The Materials Project. 2020. "Materials Data on SiAg8(SO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271023. https://www.osti.gov/servlets/purl/1271023. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1271023,
title = {Materials Data on SiAg8(SO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag8Si(SO2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.54 Å. Both Ag–O bond lengths are 3.06 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one S2- and two equivalent O2- atoms. The Ag–S bond length is 2.34 Å. Both Ag–O bond lengths are 2.25 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent O2- atoms. Both Ag–S bond lengths are 2.71 Å. Both Ag–O bond lengths are 2.68 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SAg6O2 hexagonal bipyramids. All Si–O bond lengths are 1.66 Å. S2- is bonded to six Ag1+ and two equivalent O2- atoms to form distorted SAg6O2 hexagonal bipyramids that share corners with four equivalent SAg6O2 hexagonal bipyramids and corners with two equivalent SiO4 tetrahedra. Both S–O bond lengths are 2.56 Å. O2- is bonded in a 1-coordinate geometry to four Ag1+, one Si4+, and one S2- atom.},
doi = {10.17188/1271023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}