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Title: Materials Data on Ba2TbBiO6 by Materials Project

Abstract

Ba2TbBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.41 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. There are four shorter (2.25 Å) and two longer (2.26 Å) Tb–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. All Bi–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom.

Publication Date:
Other Number(s):
mp-552191
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; Ba2TbBiO6; Ba-Bi-O-Tb
OSTI Identifier:
1267563
DOI:
10.17188/1267563

Citation Formats

The Materials Project. Materials Data on Ba2TbBiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267563.
The Materials Project. Materials Data on Ba2TbBiO6 by Materials Project. United States. doi:10.17188/1267563.
The Materials Project. 2020. "Materials Data on Ba2TbBiO6 by Materials Project". United States. doi:10.17188/1267563. https://www.osti.gov/servlets/purl/1267563. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267563,
title = {Materials Data on Ba2TbBiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2TbBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.41 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. There are four shorter (2.25 Å) and two longer (2.26 Å) Tb–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. All Bi–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom.},
doi = {10.17188/1267563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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