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Title: Materials Data on Ce2Dy2O7 by Materials Project

Abstract

Dy2Ce2O7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.18–2.45 Å. 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. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with two equivalent OCe2Dy2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form OCe2Dy2 tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six ODy4 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe2Dy2 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe2Dy2 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 OCe2Dy2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-755380
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; Ce2Dy2O7; Ce-Dy-O
OSTI Identifier:
1289970
DOI:
10.17188/1289970

Citation Formats

The Materials Project. Materials Data on Ce2Dy2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289970.
The Materials Project. Materials Data on Ce2Dy2O7 by Materials Project. United States. doi:10.17188/1289970.
The Materials Project. 2020. "Materials Data on Ce2Dy2O7 by Materials Project". United States. doi:10.17188/1289970. https://www.osti.gov/servlets/purl/1289970. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289970,
title = {Materials Data on Ce2Dy2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Ce2O7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.18–2.45 Å. 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. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with two equivalent OCe2Dy2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form OCe2Dy2 tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six ODy4 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe2Dy2 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe2Dy2 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 OCe2Dy2 tetrahedra.},
doi = {10.17188/1289970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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