U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ReMoC2 by Materials Project
Abstract
MoReC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo5+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent ReC6 octahedra, edges with six equivalent MoC6 octahedra, and edges with six equivalent ReC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Mo–C bond lengths are 2.19 Å. Re3+ is bonded to six equivalent C4- atoms to form ReC6 octahedra that share corners with six equivalent MoC6 octahedra, edges with six equivalent MoC6 octahedra, and edges with six equivalent ReC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Re–C bond lengths are 2.17 Å. C4- is bonded to three equivalent Mo5+ and three equivalent Re3+ atoms to form a mixture of edge and corner-sharing CRe3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1219523
- 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; ReMoC2; C-Mo-Re
- OSTI Identifier:
- 1734176
- DOI:
- https://doi.org/10.17188/1734176
Citation Formats
The Materials Project. Materials Data on ReMoC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1734176.
The Materials Project. Materials Data on ReMoC2 by Materials Project. United States. doi:https://doi.org/10.17188/1734176
The Materials Project. 2020.
"Materials Data on ReMoC2 by Materials Project". United States. doi:https://doi.org/10.17188/1734176. https://www.osti.gov/servlets/purl/1734176. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1734176,
title = {Materials Data on ReMoC2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoReC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo5+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent ReC6 octahedra, edges with six equivalent MoC6 octahedra, and edges with six equivalent ReC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Mo–C bond lengths are 2.19 Å. Re3+ is bonded to six equivalent C4- atoms to form ReC6 octahedra that share corners with six equivalent MoC6 octahedra, edges with six equivalent MoC6 octahedra, and edges with six equivalent ReC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Re–C bond lengths are 2.17 Å. C4- is bonded to three equivalent Mo5+ and three equivalent Re3+ atoms to form a mixture of edge and corner-sharing CRe3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1734176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}