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Title: Materials Data on CuTeO3 by Materials Project

Abstract

CuTeO3 is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.91–2.59 Å. Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu2+ and two equivalent Te4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558696
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; CuTeO3; Cu-O-Te
OSTI Identifier:
1270455
DOI:
10.17188/1270455

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuTeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270455.
Persson, Kristin, & Project, Materials. Materials Data on CuTeO3 by Materials Project. United States. doi:10.17188/1270455.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuTeO3 by Materials Project". United States. doi:10.17188/1270455. https://www.osti.gov/servlets/purl/1270455. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1270455,
title = {Materials Data on CuTeO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuTeO3 is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.91–2.59 Å. Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu2+ and two equivalent Te4+ atoms.},
doi = {10.17188/1270455},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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