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Title: Materials Data on BaTeO4 by Materials Project

Abstract

BaTeO4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded to six O2- atoms to form distorted BaO6 octahedra that share corners with four equivalent BaO6 octahedra, corners with six equivalent TeO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Ba–O bond distances ranging from 2.69–2.78 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent BaO6 octahedra, an edgeedge with one BaO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Te–O bond distances ranging from 1.88–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Te6+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1289649
Report Number(s):
mp-754967
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; BaTeO4; Ba-O-Te

Citation Formats

The Materials Project. Materials Data on BaTeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289649.
The Materials Project. Materials Data on BaTeO4 by Materials Project. United States. https://doi.org/10.17188/1289649
The Materials Project. 2020. "Materials Data on BaTeO4 by Materials Project". United States. https://doi.org/10.17188/1289649. https://www.osti.gov/servlets/purl/1289649.
@article{osti_1289649,
title = {Materials Data on BaTeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaTeO4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded to six O2- atoms to form distorted BaO6 octahedra that share corners with four equivalent BaO6 octahedra, corners with six equivalent TeO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Ba–O bond distances ranging from 2.69–2.78 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent BaO6 octahedra, an edgeedge with one BaO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Te–O bond distances ranging from 1.88–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Te6+ atoms.},
doi = {10.17188/1289649},
url = {https://www.osti.gov/biblio/1289649}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}