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Title: Materials Data on ErAl3Ni2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189620· OSTI ID:1189620

ErNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Er–Ni bond lengths are 3.11 Å. There are six shorter (3.16 Å) and six longer (3.29 Å) Er–Al bond lengths. In the second Er site, Er is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Er–Ni bond lengths are 2.82 Å. Ni is bonded in a 9-coordinate geometry to three Er and six Al atoms. There are two shorter (2.48 Å) and four longer (2.49 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er and four 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:
1189620
Report Number(s):
mp-13490
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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