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Title: Materials Data on Ce2Nd2O7 by Materials Project

Abstract

Nd2Ce2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.40 Å) and six longer (2.59 Å) Nd–O bond lengths. Ce4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ce–O bond lengths are 2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing OCe2Nd2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.

Publication Date:
Other Number(s):
mp-754846
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; Ce2Nd2O7; Ce-Nd-O
OSTI Identifier:
1289602
DOI:
https://doi.org/10.17188/1289602

Citation Formats

The Materials Project. Materials Data on Ce2Nd2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289602.
The Materials Project. Materials Data on Ce2Nd2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1289602
The Materials Project. 2020. "Materials Data on Ce2Nd2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1289602. https://www.osti.gov/servlets/purl/1289602. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1289602,
title = {Materials Data on Ce2Nd2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Ce2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.40 Å) and six longer (2.59 Å) Nd–O bond lengths. Ce4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ce–O bond lengths are 2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing OCe2Nd2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.},
doi = {10.17188/1289602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}