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Title: Materials Data on Ce11O20 by Materials Project

Abstract

Ce11O20 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ce+3.64+ sites. In the first Ce+3.64+ site, Ce+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.32–2.66 Å. In the second Ce+3.64+ site, Ce+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.56 Å. In the third Ce+3.64+ site, Ce+3.64+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing CeO7 pentagonal bipyramids. There are a spread of Ce–O bond distances ranging from 2.30–2.44 Å. In the fourth Ce+3.64+ site, Ce+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.30–2.55 Å. In the fifth Ce+3.64+ site, Ce+3.64+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing CeO7 pentagonal bipyramids. There are a spread of Ce–O bond distances ranging from 2.31–2.41 Å. In the sixth Ce+3.64+ site, Ce+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distancesmore » ranging from 2.29–2.46 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the tenth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505619
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; Ce11O20; Ce-O
OSTI Identifier:
1262651
DOI:
10.17188/1262651

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce11O20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262651.
Persson, Kristin, & Project, Materials. Materials Data on Ce11O20 by Materials Project. United States. doi:10.17188/1262651.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce11O20 by Materials Project". United States. doi:10.17188/1262651. https://www.osti.gov/servlets/purl/1262651. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262651,
title = {Materials Data on Ce11O20 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce11O20 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ce+3.64+ sites. In the first Ce+3.64+ site, Ce+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.32–2.66 Å. In the second Ce+3.64+ site, Ce+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.56 Å. In the third Ce+3.64+ site, Ce+3.64+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing CeO7 pentagonal bipyramids. There are a spread of Ce–O bond distances ranging from 2.30–2.44 Å. In the fourth Ce+3.64+ site, Ce+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.30–2.55 Å. In the fifth Ce+3.64+ site, Ce+3.64+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing CeO7 pentagonal bipyramids. There are a spread of Ce–O bond distances ranging from 2.31–2.41 Å. In the sixth Ce+3.64+ site, Ce+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.46 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the tenth O2- site, O2- is bonded to four Ce+3.64+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra.},
doi = {10.17188/1262651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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