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Materials Data on ErInNi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205651· OSTI ID:1205651
ErNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.92 Å) and one longer (3.05 Å) Er–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.26 Å) Er–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Ni–In bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Ni–In bond lengths are 2.67 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Ni atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1205651
Report Number(s):
mp-31427
Country of Publication:
United States
Language:
English

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