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Title: Materials Data on AgTeO3 by Materials Project

Abstract

AgTeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.24–2.97 Å. In the second Ag2+ site, Ag2+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.62 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.92–2.03 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.36 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ag2+ and one Te4+ atom.more » In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag2+ and two Te4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559257
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; AgTeO3; Ag-O-Te
OSTI Identifier:
1270746
DOI:
10.17188/1270746

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgTeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270746.
Persson, Kristin, & Project, Materials. Materials Data on AgTeO3 by Materials Project. United States. doi:10.17188/1270746.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgTeO3 by Materials Project". United States. doi:10.17188/1270746. https://www.osti.gov/servlets/purl/1270746. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270746,
title = {Materials Data on AgTeO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgTeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.24–2.97 Å. In the second Ag2+ site, Ag2+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.62 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.92–2.03 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.36 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ag2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ag2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag2+ and two Te4+ atoms.},
doi = {10.17188/1270746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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