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Title: Materials Data on MgSc3Ru2 by Materials Project

Abstract

MgSc3Ru2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Sc atoms to form a mixture of corner and face-sharing MgMg4Sc8 cuboctahedra. All Mg–Mg bond lengths are 3.27 Å. All Mg–Sc bond lengths are 3.26 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sc–Ru bond lengths are 2.84 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ru atoms. All Sc–Ru bond lengths are 2.72 Å. Ru is bonded in a body-centered cubic geometry to eight Sc atoms.

Publication Date:
Other Number(s):
mp-1018799
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; MgSc3Ru2; Mg-Ru-Sc
OSTI Identifier:
1350400
DOI:
10.17188/1350400

Citation Formats

The Materials Project. Materials Data on MgSc3Ru2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350400.
The Materials Project. Materials Data on MgSc3Ru2 by Materials Project. United States. doi:10.17188/1350400.
The Materials Project. 2020. "Materials Data on MgSc3Ru2 by Materials Project". United States. doi:10.17188/1350400. https://www.osti.gov/servlets/purl/1350400. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1350400,
title = {Materials Data on MgSc3Ru2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSc3Ru2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Sc atoms to form a mixture of corner and face-sharing MgMg4Sc8 cuboctahedra. All Mg–Mg bond lengths are 3.27 Å. All Mg–Sc bond lengths are 3.26 Å. There are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sc–Ru bond lengths are 2.84 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ru atoms. All Sc–Ru bond lengths are 2.72 Å. Ru is bonded in a body-centered cubic geometry to eight Sc atoms.},
doi = {10.17188/1350400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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