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Title: Materials Data on CeNdAl2O6 by Materials Project

Abstract

NdCeAl2O6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.98 Å. Ce3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ce–O bond distances ranging from 2.43–2.97 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 8–19°. There is four shorter (1.91 Å) and two longer (1.92 Å) Al–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-1226589
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; CeNdAl2O6; Al-Ce-Nd-O
OSTI Identifier:
1757843
DOI:
https://doi.org/10.17188/1757843

Citation Formats

The Materials Project. Materials Data on CeNdAl2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757843.
The Materials Project. Materials Data on CeNdAl2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1757843
The Materials Project. 2020. "Materials Data on CeNdAl2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1757843. https://www.osti.gov/servlets/purl/1757843. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757843,
title = {Materials Data on CeNdAl2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCeAl2O6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.98 Å. Ce3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ce–O bond distances ranging from 2.43–2.97 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 8–19°. There is four shorter (1.91 Å) and two longer (1.92 Å) Al–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms.},
doi = {10.17188/1757843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}