skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-754967
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; BaTeO4; Ba-O-Te
OSTI Identifier:
1289649
DOI:
10.17188/1289649

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaTeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289649.
Persson, Kristin, & Project, Materials. Materials Data on BaTeO4 by Materials Project. United States. doi:10.17188/1289649.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaTeO4 by Materials Project". United States. doi:10.17188/1289649. https://www.osti.gov/servlets/purl/1289649. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1289649,
title = {Materials Data on BaTeO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
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},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: