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Title: Materials Data on ScRu2 by Materials Project

Abstract

ScRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Sc–Ru bond distances ranging from 3.02–3.10 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sc and six equivalent Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Sc and six Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Ru–Ru bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-567750
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ScRu2; Ru-Sc
OSTI Identifier:
1274027
DOI:
https://doi.org/10.17188/1274027

Citation Formats

The Materials Project. Materials Data on ScRu2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274027.
The Materials Project. Materials Data on ScRu2 by Materials Project. United States. doi:https://doi.org/10.17188/1274027
The Materials Project. 2020. "Materials Data on ScRu2 by Materials Project". United States. doi:https://doi.org/10.17188/1274027. https://www.osti.gov/servlets/purl/1274027. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274027,
title = {Materials Data on ScRu2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Sc–Ru bond distances ranging from 3.02–3.10 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sc and six equivalent Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Sc and six Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Ru–Ru bond lengths.},
doi = {10.17188/1274027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}