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

Title: Materials Data on BaTbO3 by Materials Project

Abstract

BaTbO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (3.15 Å) Ba–O bond lengths. Tb4+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–22°. All Tb–O bond lengths are 2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-548824
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; BaTbO3; Ba-O-Tb
OSTI Identifier:
1267363
DOI:
10.17188/1267363

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaTbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267363.
Persson, Kristin, & Project, Materials. Materials Data on BaTbO3 by Materials Project. United States. doi:10.17188/1267363.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaTbO3 by Materials Project". United States. doi:10.17188/1267363. https://www.osti.gov/servlets/purl/1267363. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267363,
title = {Materials Data on BaTbO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaTbO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (3.15 Å) Ba–O bond lengths. Tb4+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–22°. All Tb–O bond lengths are 2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms.},
doi = {10.17188/1267363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: