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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 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.49–2.67 Å. In the second Ag2+ site, Ag2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.40–2.86 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 1.88–2.04 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 1.90–2.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Ag2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ag2+ and two equivalentmore » Te4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Ag2+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two Te4+ atoms.« less

Publication Date:
Other Number(s):
mp-558637
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:
1270433
DOI:
https://doi.org/10.17188/1270433

Citation Formats

The Materials Project. Materials Data on AgTeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270433.
The Materials Project. Materials Data on AgTeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1270433
The Materials Project. 2020. "Materials Data on AgTeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1270433. https://www.osti.gov/servlets/purl/1270433. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270433,
title = {Materials Data on AgTeO3 by Materials Project},
author = {The Materials Project},
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 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.49–2.67 Å. In the second Ag2+ site, Ag2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.40–2.86 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 1.88–2.04 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 1.90–2.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Ag2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ag2+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Ag2+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag2+ and two Te4+ atoms.},
doi = {10.17188/1270433},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}