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

Title: Materials Data on Ce2Y2O7 by Materials Project

Abstract

Ce2Y2O7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.46 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.46 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form OY4 tetrahedra that share corners with sixteen OY4 tetrahedra and edges with two equivalent OCe2Y2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing OCe2Y2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Y3+ atoms to form OCe2Y2 tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six OY4 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe2Y2 tetrahedra and edges with six OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four equivalent Ce4+ atomsmore » to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe2Y2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1178478
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; Ce2Y2O7; Ce-O-Y
OSTI Identifier:
1743555
DOI:
https://doi.org/10.17188/1743555

Citation Formats

The Materials Project. Materials Data on Ce2Y2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743555.
The Materials Project. Materials Data on Ce2Y2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1743555
The Materials Project. 2020. "Materials Data on Ce2Y2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1743555. https://www.osti.gov/servlets/purl/1743555. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1743555,
title = {Materials Data on Ce2Y2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Y2O7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.46 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.46 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form OY4 tetrahedra that share corners with sixteen OY4 tetrahedra and edges with two equivalent OCe2Y2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing OCe2Y2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Y3+ atoms to form OCe2Y2 tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six OY4 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe2Y2 tetrahedra and edges with six OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe2Y2 tetrahedra.},
doi = {10.17188/1743555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}