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Title: Materials Data on Re3Ru by Materials Project

Abstract

Re3Ru is beta-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ru atoms to form ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe10Ru2 cuboctahedra, corners with fourteen equivalent ReRe8Ru4 cuboctahedra, edges with four equivalent RuRe10Ru2 cuboctahedra, edges with fourteen ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.71–2.77 Å. There are two shorter (2.75 Å) and two longer (2.81 Å) Re–Ru bond lengths. In the second Re site, Re is bonded to nine Re and three equivalent Ru atoms to form distorted ReRe9Ru3 cuboctahedra that share corners with eighteen equivalent ReRe9Ru3 cuboctahedra, edges with six equivalent RuRe10Ru2 cuboctahedra, edges with twelve ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are two shorter (2.77 Å) and four longer (2.78 Å) Re–Re bond lengths. There are two shorter (2.73 Å) and one longer (2.75 Å) Re–Ru bond lengths. Ru is bonded to ten Re and two equivalent Ru atoms to form RuRe10Ru2 cuboctahedramore » that share corners with four equivalent ReRe8Ru4 cuboctahedra, corners with fourteen equivalent RuRe10Ru2 cuboctahedra, edges with two equivalent RuRe10Ru2 cuboctahedra, edges with sixteen ReRe8Ru4 cuboctahedra, faces with two equivalent RuRe10Ru2 cuboctahedra, and faces with eighteen ReRe8Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.77 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-974455
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; Re3Ru; Re-Ru
OSTI Identifier:
1314500
DOI:
https://doi.org/10.17188/1314500

Citation Formats

The Materials Project. Materials Data on Re3Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314500.
The Materials Project. Materials Data on Re3Ru by Materials Project. United States. doi:https://doi.org/10.17188/1314500
The Materials Project. 2020. "Materials Data on Re3Ru by Materials Project". United States. doi:https://doi.org/10.17188/1314500. https://www.osti.gov/servlets/purl/1314500. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1314500,
title = {Materials Data on Re3Ru by Materials Project},
author = {The Materials Project},
abstractNote = {Re3Ru is beta-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ru atoms to form ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe10Ru2 cuboctahedra, corners with fourteen equivalent ReRe8Ru4 cuboctahedra, edges with four equivalent RuRe10Ru2 cuboctahedra, edges with fourteen ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.71–2.77 Å. There are two shorter (2.75 Å) and two longer (2.81 Å) Re–Ru bond lengths. In the second Re site, Re is bonded to nine Re and three equivalent Ru atoms to form distorted ReRe9Ru3 cuboctahedra that share corners with eighteen equivalent ReRe9Ru3 cuboctahedra, edges with six equivalent RuRe10Ru2 cuboctahedra, edges with twelve ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are two shorter (2.77 Å) and four longer (2.78 Å) Re–Re bond lengths. There are two shorter (2.73 Å) and one longer (2.75 Å) Re–Ru bond lengths. Ru is bonded to ten Re and two equivalent Ru atoms to form RuRe10Ru2 cuboctahedra that share corners with four equivalent ReRe8Ru4 cuboctahedra, corners with fourteen equivalent RuRe10Ru2 cuboctahedra, edges with two equivalent RuRe10Ru2 cuboctahedra, edges with sixteen ReRe8Ru4 cuboctahedra, faces with two equivalent RuRe10Ru2 cuboctahedra, and faces with eighteen ReRe8Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.77 Å.},
doi = {10.17188/1314500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}