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Title: Materials Data on CeAl5Ni2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1208421· OSTI ID:1208421

CeNi2Al5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ni and fourteen Al atoms. All Ce–Ni bond lengths are 3.16 Å. There are a spread of Ce–Al bond distances ranging from 3.30–3.53 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Ce and two equivalent Ni atoms. In the second Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce and three equivalent Ni 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:
1208421
Report Number(s):
mp-4817
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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