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Title: Materials Data on CeAlNi by Materials Project

Abstract

CeNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.88 Å) and one longer (2.92 Å) Ce–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.24 Å) Ce–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. All Ni–Al bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Al atoms. All Ni–Al bond lengths are 2.71 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ce, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.77 Å.

Publication Date:
Other Number(s):
mp-11351
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; CeAlNi; Al-Ce-Ni
OSTI Identifier:
1187756
DOI:
https://doi.org/10.17188/1187756

Citation Formats

The Materials Project. Materials Data on CeAlNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187756.
The Materials Project. Materials Data on CeAlNi by Materials Project. United States. doi:https://doi.org/10.17188/1187756
The Materials Project. 2020. "Materials Data on CeAlNi by Materials Project". United States. doi:https://doi.org/10.17188/1187756. https://www.osti.gov/servlets/purl/1187756. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187756,
title = {Materials Data on CeAlNi by Materials Project},
author = {The Materials Project},
abstractNote = {CeNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.88 Å) and one longer (2.92 Å) Ce–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.24 Å) Ce–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. All Ni–Al bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Al atoms. All Ni–Al bond lengths are 2.71 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ce, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.77 Å.},
doi = {10.17188/1187756},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}