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Title: Materials Data on CuAg4TeO6 by Materials Project

Abstract

Ag4CuTeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.75 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.86 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.90 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share edges with two equivalent CuO6 octahedra and edges with three equivalent TeO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.98–2.59 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with three equivalent CuO6 octahedra. There are a spread of Te–O bond distances ranging from 1.97–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Ag1+ and one Te6+ atom. In the secondmore » O2- site, O2- is bonded in a 6-coordinate geometry to three Ag1+, two equivalent Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ag1+, one Cu2+, and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-555515
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; CuAg4TeO6; Ag-Cu-O-Te
OSTI Identifier:
1268850
DOI:
10.17188/1268850

Citation Formats

The Materials Project. Materials Data on CuAg4TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268850.
The Materials Project. Materials Data on CuAg4TeO6 by Materials Project. United States. doi:10.17188/1268850.
The Materials Project. 2020. "Materials Data on CuAg4TeO6 by Materials Project". United States. doi:10.17188/1268850. https://www.osti.gov/servlets/purl/1268850. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1268850,
title = {Materials Data on CuAg4TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag4CuTeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.75 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.86 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.90 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share edges with two equivalent CuO6 octahedra and edges with three equivalent TeO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.98–2.59 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with three equivalent CuO6 octahedra. There are a spread of Te–O bond distances ranging from 1.97–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Ag1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three Ag1+, two equivalent Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ag1+, one Cu2+, and one Te6+ atom.},
doi = {10.17188/1268850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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