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Title: Materials Data on Ba3Ce2O6 by Materials Project

Abstract

Ba3Ce2O6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.19 Å. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form distorted face-sharing CeO6 pentagonal pyramids. All Ce–O bond lengths are 2.43 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form face-sharing CeO6 octahedra. All Ce–O bond lengths are 2.33 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two Ce3+ atoms.

Publication Date:
Other Number(s):
mp-1178573
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; Ba3Ce2O6; Ba-Ce-O
OSTI Identifier:
1729183
DOI:
https://doi.org/10.17188/1729183

Citation Formats

The Materials Project. Materials Data on Ba3Ce2O6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729183.
The Materials Project. Materials Data on Ba3Ce2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1729183
The Materials Project. 2019. "Materials Data on Ba3Ce2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1729183. https://www.osti.gov/servlets/purl/1729183. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1729183,
title = {Materials Data on Ba3Ce2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3Ce2O6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.19 Å. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form distorted face-sharing CeO6 pentagonal pyramids. All Ce–O bond lengths are 2.43 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form face-sharing CeO6 octahedra. All Ce–O bond lengths are 2.33 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two Ce3+ atoms.},
doi = {10.17188/1729183},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}