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Title: Materials Data on Si3Ru2 by Materials Project

Abstract

Ru2Si3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.37–2.54 Å. In the second Ru2+ site, Ru2+ is bonded to six Si+1.33- atoms to form distorted edge-sharing RuSi6 octahedra. There are a spread of Ru–Si bond distances ranging from 2.33–2.48 Å. In the third Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.39–2.75 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to four Ru2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a 5-coordinate geometry to five Ru2+ atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 5-coordinate geometry to five Ru2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22192
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; Si3Ru2; Ru-Si
OSTI Identifier:
1197416
DOI:
10.17188/1197416

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Si3Ru2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197416.
Persson, Kristin, & Project, Materials. Materials Data on Si3Ru2 by Materials Project. United States. doi:10.17188/1197416.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Si3Ru2 by Materials Project". United States. doi:10.17188/1197416. https://www.osti.gov/servlets/purl/1197416. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1197416,
title = {Materials Data on Si3Ru2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ru2Si3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.37–2.54 Å. In the second Ru2+ site, Ru2+ is bonded to six Si+1.33- atoms to form distorted edge-sharing RuSi6 octahedra. There are a spread of Ru–Si bond distances ranging from 2.33–2.48 Å. In the third Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are a spread of Ru–Si bond distances ranging from 2.39–2.75 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to four Ru2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a 5-coordinate geometry to five Ru2+ atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 5-coordinate geometry to five Ru2+ atoms.},
doi = {10.17188/1197416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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