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Title: Materials Data on CeAlPd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196424· OSTI ID:1196424

CePdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are four shorter (3.00 Å) and one longer (3.03 Å) Ce–Pd bond lengths. There are two shorter (3.24 Å) and four longer (3.36 Å) Ce–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. All Pd–Al bond lengths are 2.68 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Al atoms. All Pd–Al bond lengths are 2.82 Å. Al is bonded in a 4-coordinate geometry to six equivalent Ce and four Pd atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1196424
Report Number(s):
mp-21158
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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