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Title: Materials Data on Ce13O24 by Materials Project

Abstract

Ce13O24 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are thirteen inequivalent Ce+3.69+ sites. In the first Ce+3.69+ site, Ce+3.69+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.46 Å. In the second Ce+3.69+ site, Ce+3.69+ 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 2.29–2.37 Å. In the third Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.28–2.60 Å. In the fourth Ce+3.69+ site, Ce+3.69+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.39 Å. In the fifth Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.60 Å. In the sixth Ce+3.69+ site, Ce+3.69+ 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 distancesmore » ranging from 2.29–2.39 Å. In the seventh Ce+3.69+ site, Ce+3.69+ 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 eighth Ce+3.69+ site, Ce+3.69+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.28–2.36 Å. In the ninth Ce+3.69+ site, Ce+3.69+ 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 tenth Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.66 Å. In the eleventh Ce+3.69+ site, Ce+3.69+ 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 2.28–2.42 Å. In the twelfth Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.62 Å. In the thirteenth Ce+3.69+ site, Ce+3.69+ 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 2.28–2.43 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the tenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twelfth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the twentieth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the twenty-first O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twenty-second O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twenty-third O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twenty-fourth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-684627
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ce13O24; Ce-O
OSTI Identifier:
1283938
DOI:
https://doi.org/10.17188/1283938

Citation Formats

The Materials Project. Materials Data on Ce13O24 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1283938.
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The Materials Project. Materials Data on Ce13O24 by Materials Project. United States. doi:https://doi.org/10.17188/1283938
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The Materials Project. 2013. "Materials Data on Ce13O24 by Materials Project". United States. doi:https://doi.org/10.17188/1283938. https://www.osti.gov/servlets/purl/1283938. Pub date:Thu Oct 17 00:00:00 EDT 2013
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@article{osti_1283938,
title = {Materials Data on Ce13O24 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce13O24 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are thirteen inequivalent Ce+3.69+ sites. In the first Ce+3.69+ site, Ce+3.69+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.27–2.46 Å. In the second Ce+3.69+ site, Ce+3.69+ 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 2.29–2.37 Å. In the third Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.28–2.60 Å. In the fourth Ce+3.69+ site, Ce+3.69+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.31–2.39 Å. In the fifth Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.60 Å. In the sixth Ce+3.69+ site, Ce+3.69+ 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 2.29–2.39 Å. In the seventh Ce+3.69+ site, Ce+3.69+ 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 eighth Ce+3.69+ site, Ce+3.69+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.28–2.36 Å. In the ninth Ce+3.69+ site, Ce+3.69+ 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 tenth Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.66 Å. In the eleventh Ce+3.69+ site, Ce+3.69+ 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 2.28–2.42 Å. In the twelfth Ce+3.69+ site, Ce+3.69+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.33–2.62 Å. In the thirteenth Ce+3.69+ site, Ce+3.69+ 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 2.28–2.43 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the sixth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the eighth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the ninth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the tenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twelfth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the thirteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fifteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the sixteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventeenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the twentieth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the twenty-first O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twenty-second O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twenty-third O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra. In the twenty-fourth O2- site, O2- is bonded to four Ce+3.69+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra.},
doi = {10.17188/1283938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Oct 17 00:00:00 EDT 2013},
month = {Thu Oct 17 00:00:00 EDT 2013}
}
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DOI: https://doi.org/10.17188/1283938
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