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

Title: Materials Data on Ba2TbWO6 by Materials Project

Abstract

Ba2TbWO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TbO6 octahedra, and faces with four equivalent WO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.89–3.20 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are four shorter (2.26 Å) and two longer (2.28 Å) Tb–O bond lengths. W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent TbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are two shorter (1.96 Å) and four longer (2.05 Å) W–O bond lengths. 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 W5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry tomore » four equivalent Ba2+, one Tb3+, and one W5+ atom.« less

Publication Date:
Other Number(s):
mp-1214561
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; Ba2TbWO6; Ba-O-Tb-W
OSTI Identifier:
1680278
DOI:
https://doi.org/10.17188/1680278

Citation Formats

The Materials Project. Materials Data on Ba2TbWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680278.
The Materials Project. Materials Data on Ba2TbWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1680278
The Materials Project. 2020. "Materials Data on Ba2TbWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1680278. https://www.osti.gov/servlets/purl/1680278. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680278,
title = {Materials Data on Ba2TbWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2TbWO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TbO6 octahedra, and faces with four equivalent WO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.89–3.20 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are four shorter (2.26 Å) and two longer (2.28 Å) Tb–O bond lengths. W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent TbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are two shorter (1.96 Å) and four longer (2.05 Å) W–O bond lengths. 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 W5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one W5+ atom.},
doi = {10.17188/1680278},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}