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Title: Materials Data on Ag4TeSO4 by Materials Project

Abstract

Ag4SO4Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag4SO4 framework. In the Ag4SO4 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.46 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.45 Å) and one longer (2.64 Å) Ag–O bond lengths. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one S2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1199607
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; Ag4TeSO4; Ag-O-S-Te
OSTI Identifier:
1689206
DOI:
https://doi.org/10.17188/1689206

Citation Formats

The Materials Project. Materials Data on Ag4TeSO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689206.
The Materials Project. Materials Data on Ag4TeSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1689206
The Materials Project. 2020. "Materials Data on Ag4TeSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1689206. https://www.osti.gov/servlets/purl/1689206. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1689206,
title = {Materials Data on Ag4TeSO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag4SO4Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag4SO4 framework. In the Ag4SO4 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.46 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.45 Å) and one longer (2.64 Å) Ag–O bond lengths. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one S2- atom.},
doi = {10.17188/1689206},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}