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Title: Materials Data on ErInCu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207665· OSTI ID:1207665

ErCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (2.98 Å) and one longer (3.04 Å) Er–Cu bond lengths. There are two shorter (3.17 Å) and four longer (3.31 Å) Er–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Cu–In bond lengths are 2.80 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Cu–In bond lengths are 2.73 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Cu 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:
1207665
Report Number(s):
mp-3950
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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