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Title: Materials Data on ErRu2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274989· OSTI ID:1274989

ErRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Er–Ru bond distances ranging from 3.09–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Er and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å. In the second Ru site, Ru is bonded to six equivalent Er and six Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.70 Å) Ru–Ru bond lengths.

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:
1274989
Report Number(s):
mp-569220
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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