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Title: Materials Data on Ce3AlN by Materials Project

Abstract

Ce3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Ce–Al bond lengths are 3.44 Å. Both Ce–N bond lengths are 2.43 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 cuboctahedra, and faces with eight equivalent NCe6 octahedra. N is bonded to six equivalent Ce atoms to form NCe6 octahedra that share corners with six equivalent NCe6 octahedra and faces with eight equivalent AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-10881
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; Ce3AlN; Al-Ce-N
OSTI Identifier:
1187423
DOI:
https://doi.org/10.17188/1187423

Citation Formats

The Materials Project. Materials Data on Ce3AlN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187423.
The Materials Project. Materials Data on Ce3AlN by Materials Project. United States. doi:https://doi.org/10.17188/1187423
The Materials Project. 2020. "Materials Data on Ce3AlN by Materials Project". United States. doi:https://doi.org/10.17188/1187423. https://www.osti.gov/servlets/purl/1187423. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1187423,
title = {Materials Data on Ce3AlN by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Ce–Al bond lengths are 3.44 Å. Both Ce–N bond lengths are 2.43 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 cuboctahedra, and faces with eight equivalent NCe6 octahedra. N is bonded to six equivalent Ce atoms to form NCe6 octahedra that share corners with six equivalent NCe6 octahedra and faces with eight equivalent AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1187423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}