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Title: Materials Data on BaTeO3 by Materials Project

Abstract

BaTeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–2.94 Å. Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are three shorter (1.90 Å) and one longer (2.80 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded to three equivalent Ba2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OBa3Te tetrahedra.

Publication Date:
Other Number(s):
mp-5431
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; BaTeO3; Ba-O-Te
OSTI Identifier:
1266931
DOI:
https://doi.org/10.17188/1266931

Citation Formats

The Materials Project. Materials Data on BaTeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266931.
The Materials Project. Materials Data on BaTeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1266931
The Materials Project. 2020. "Materials Data on BaTeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1266931. https://www.osti.gov/servlets/purl/1266931. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266931,
title = {Materials Data on BaTeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaTeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–2.94 Å. Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are three shorter (1.90 Å) and one longer (2.80 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded to three equivalent Ba2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OBa3Te tetrahedra.},
doi = {10.17188/1266931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}