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Title: Materials Data on Re3Mo by Materials Project

Abstract

MoRe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Re atoms to form MoRe12 cuboctahedra that share corners with six equivalent MoRe12 cuboctahedra, corners with twelve equivalent ReRe8Mo4 cuboctahedra, edges with eighteen equivalent ReRe8Mo4 cuboctahedra, faces with eight equivalent MoRe12 cuboctahedra, and faces with twelve equivalent ReRe8Mo4 cuboctahedra. All Mo–Re bond lengths are 2.79 Å. Re is bonded to four equivalent Mo and eight equivalent Re atoms to form ReRe8Mo4 cuboctahedra that share corners with four equivalent MoRe12 cuboctahedra, corners with fourteen equivalent ReRe8Mo4 cuboctahedra, edges with six equivalent MoRe12 cuboctahedra, edges with twelve equivalent ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with sixteen equivalent ReRe8Mo4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.78–2.81 Å.

Authors:
Publication Date:
Other Number(s):
mp-974589
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; Re3Mo; Mo-Re
OSTI Identifier:
1314573
DOI:
https://doi.org/10.17188/1314573

Citation Formats

The Materials Project. Materials Data on Re3Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314573.
The Materials Project. Materials Data on Re3Mo by Materials Project. United States. doi:https://doi.org/10.17188/1314573
The Materials Project. 2020. "Materials Data on Re3Mo by Materials Project". United States. doi:https://doi.org/10.17188/1314573. https://www.osti.gov/servlets/purl/1314573. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314573,
title = {Materials Data on Re3Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoRe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Re atoms to form MoRe12 cuboctahedra that share corners with six equivalent MoRe12 cuboctahedra, corners with twelve equivalent ReRe8Mo4 cuboctahedra, edges with eighteen equivalent ReRe8Mo4 cuboctahedra, faces with eight equivalent MoRe12 cuboctahedra, and faces with twelve equivalent ReRe8Mo4 cuboctahedra. All Mo–Re bond lengths are 2.79 Å. Re is bonded to four equivalent Mo and eight equivalent Re atoms to form ReRe8Mo4 cuboctahedra that share corners with four equivalent MoRe12 cuboctahedra, corners with fourteen equivalent ReRe8Mo4 cuboctahedra, edges with six equivalent MoRe12 cuboctahedra, edges with twelve equivalent ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with sixteen equivalent ReRe8Mo4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.78–2.81 Å.},
doi = {10.17188/1314573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}