U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Re3Mo by Materials Project
Abstract
MoRe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo is bonded to twelve Re atoms to form MoRe12 cuboctahedra that share corners with four equivalent MoRe12 cuboctahedra, corners with eight equivalent ReRe8Mo4 cuboctahedra, edges with eight equivalent MoRe12 cuboctahedra, edges with sixteen equivalent ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with fourteen ReRe8Mo4 cuboctahedra. All Mo–Re bond lengths are 2.79 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Mo and eight Re atoms to form ReRe8Mo4 cuboctahedra that share corners with twelve equivalent ReRe8Mo4 cuboctahedra, edges with eight equivalent MoRe12 cuboctahedra, edges with sixteen ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with fourteen ReRe8Mo4 cuboctahedra. All Re–Re bond lengths are 2.79 Å. In the second Re site, Re is bonded to four equivalent Mo and eight equivalent Re atoms to form ReRe8Mo4 cuboctahedra that share corners with four equivalent ReRe8Mo4 cuboctahedra, corners with eight equivalent MoRe12 cuboctahedra, edges with twenty-four ReRe8Mo4 cuboctahedra, faces with six equivalent MoRe12 cuboctahedra, and faces with twelve ReRe8Mo4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-974420
- 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:
- 1314488
- DOI:
- https://doi.org/10.17188/1314488
Citation Formats
The Materials Project. Materials Data on Re3Mo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314488.
The Materials Project. Materials Data on Re3Mo by Materials Project. United States. doi:https://doi.org/10.17188/1314488
The Materials Project. 2020.
"Materials Data on Re3Mo by Materials Project". United States. doi:https://doi.org/10.17188/1314488. https://www.osti.gov/servlets/purl/1314488. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314488,
title = {Materials Data on Re3Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoRe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo is bonded to twelve Re atoms to form MoRe12 cuboctahedra that share corners with four equivalent MoRe12 cuboctahedra, corners with eight equivalent ReRe8Mo4 cuboctahedra, edges with eight equivalent MoRe12 cuboctahedra, edges with sixteen equivalent ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with fourteen ReRe8Mo4 cuboctahedra. All Mo–Re bond lengths are 2.79 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Mo and eight Re atoms to form ReRe8Mo4 cuboctahedra that share corners with twelve equivalent ReRe8Mo4 cuboctahedra, edges with eight equivalent MoRe12 cuboctahedra, edges with sixteen ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with fourteen ReRe8Mo4 cuboctahedra. All Re–Re bond lengths are 2.79 Å. In the second Re site, Re is bonded to four equivalent Mo and eight equivalent Re atoms to form ReRe8Mo4 cuboctahedra that share corners with four equivalent ReRe8Mo4 cuboctahedra, corners with eight equivalent MoRe12 cuboctahedra, edges with twenty-four ReRe8Mo4 cuboctahedra, faces with six equivalent MoRe12 cuboctahedra, and faces with twelve ReRe8Mo4 cuboctahedra.},
doi = {10.17188/1314488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}