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Title: Materials Data on Re3W by Materials Project

Abstract

Re3W is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. W is bonded to twelve Re atoms to form WRe12 cuboctahedra that share corners with four equivalent WRe12 cuboctahedra, corners with eight equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen equivalent ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are eight shorter (2.79 Å) and four longer (2.80 Å) W–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent W and eight Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with twelve equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.80 Å) Re–Re bond lengths. In the second Re site, Re is bonded to four equivalent W and eight equivalent Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with four equivalent ReRe8W4 cuboctahedra, corners with eight equivalent WRe12 cuboctahedra, edges with twenty-four ReRe8W4 cuboctahedra, faces with six equivalent WRe12 cuboctahedra, andmore » faces with twelve ReRe8W4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-974416
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; Re3W; Re-W
OSTI Identifier:
1314486
DOI:
https://doi.org/10.17188/1314486

Citation Formats

The Materials Project. Materials Data on Re3W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314486.
The Materials Project. Materials Data on Re3W by Materials Project. United States. doi:https://doi.org/10.17188/1314486
The Materials Project. 2020. "Materials Data on Re3W by Materials Project". United States. doi:https://doi.org/10.17188/1314486. https://www.osti.gov/servlets/purl/1314486. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1314486,
title = {Materials Data on Re3W by Materials Project},
author = {The Materials Project},
abstractNote = {Re3W is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. W is bonded to twelve Re atoms to form WRe12 cuboctahedra that share corners with four equivalent WRe12 cuboctahedra, corners with eight equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen equivalent ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are eight shorter (2.79 Å) and four longer (2.80 Å) W–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent W and eight Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with twelve equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.80 Å) Re–Re bond lengths. In the second Re site, Re is bonded to four equivalent W and eight equivalent Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with four equivalent ReRe8W4 cuboctahedra, corners with eight equivalent WRe12 cuboctahedra, edges with twenty-four ReRe8W4 cuboctahedra, faces with six equivalent WRe12 cuboctahedra, and faces with twelve ReRe8W4 cuboctahedra.},
doi = {10.17188/1314486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}