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Title: Materials Data on ErRu2 by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-569220
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ErRu2; Er-Ru
OSTI Identifier:
1274989
DOI:
10.17188/1274989

Citation Formats

The Materials Project. Materials Data on ErRu2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1274989.
The Materials Project. Materials Data on ErRu2 by Materials Project. United States. doi:10.17188/1274989.
The Materials Project. 2019. "Materials Data on ErRu2 by Materials Project". United States. doi:10.17188/1274989. https://www.osti.gov/servlets/purl/1274989. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1274989,
title = {Materials Data on ErRu2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1274989},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}

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