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Title: Materials Data on Ag4Te(ClO3)2 by Materials Project

Abstract

(Ag2O3Cl)2Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag2O3Cl framework. In the Ag2O3Cl framework, there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to three equivalent O2- and one Cl1- atom. All Ag–O bond lengths are 2.73 Å. The Ag–Cl bond length is 2.83 Å. In the second Ag2+ site, Ag2+ is bonded in a water-like geometry to two O2- atoms. There are one shorter (2.38 Å) and one longer (2.55 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one Cl1- atom. The O–Cl bond length is 1.52 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag2+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Ag2+ and three equivalent O2- atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalentmore » O2- atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-738646
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; Ag4Te(ClO3)2; Ag-Cl-O-Te
OSTI Identifier:
1287895
DOI:
10.17188/1287895

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag4Te(ClO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287895.
Persson, Kristin, & Project, Materials. Materials Data on Ag4Te(ClO3)2 by Materials Project. United States. doi:10.17188/1287895.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag4Te(ClO3)2 by Materials Project". United States. doi:10.17188/1287895. https://www.osti.gov/servlets/purl/1287895. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287895,
title = {Materials Data on Ag4Te(ClO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(Ag2O3Cl)2Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag2O3Cl framework. In the Ag2O3Cl framework, there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to three equivalent O2- and one Cl1- atom. All Ag–O bond lengths are 2.73 Å. The Ag–Cl bond length is 2.83 Å. In the second Ag2+ site, Ag2+ is bonded in a water-like geometry to two O2- atoms. There are one shorter (2.38 Å) and one longer (2.55 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one Cl1- atom. The O–Cl bond length is 1.52 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag2+ and one Cl1- atom. The O–Cl bond length is 1.50 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Ag2+ and three equivalent O2- atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms.},
doi = {10.17188/1287895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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