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Title: Materials Data on CeBMoO6 by Materials Project

Abstract

CeMoBO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ce–O bond distances ranging from 2.40–2.99 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.40 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ce3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce3+ and two equivalent B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ce3+ and two equivalent Mo6+ atoms. In the sixth O2- site, O2- ismore » bonded in a distorted single-bond geometry to three equivalent Ce3+ and one B3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-642871
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; CeBMoO6; B-Ce-Mo-O
OSTI Identifier:
1280219
DOI:
10.17188/1280219

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeBMoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280219.
Persson, Kristin, & Project, Materials. Materials Data on CeBMoO6 by Materials Project. United States. doi:10.17188/1280219.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeBMoO6 by Materials Project". United States. doi:10.17188/1280219. https://www.osti.gov/servlets/purl/1280219. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1280219,
title = {Materials Data on CeBMoO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CeMoBO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ce–O bond distances ranging from 2.40–2.99 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.40 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ce3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce3+ and two equivalent B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ce3+ and two equivalent Mo6+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ce3+ and one B3+ atom.},
doi = {10.17188/1280219},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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