U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbMoC2 by Materials Project
Abstract
NbMoC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent C4- atoms to form NbC6 octahedra that share corners with six equivalent MoC6 octahedra, edges with six equivalent NbC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.24 Å. Mo3+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent NbC6 octahedra, edges with six equivalent NbC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Mo–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Nb5+ and three equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CNb3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1220406
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Mo-Nb; NbMoC2; crystal structure
- OSTI Identifier:
- 1705882
- DOI:
- https://doi.org/10.17188/1705882
Citation Formats
Materials Data on NbMoC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705882.
Materials Data on NbMoC2 by Materials Project. United States. doi:https://doi.org/10.17188/1705882
2020.
"Materials Data on NbMoC2 by Materials Project". United States. doi:https://doi.org/10.17188/1705882. https://www.osti.gov/servlets/purl/1705882. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705882,
title = {Materials Data on NbMoC2 by Materials Project},
abstractNote = {NbMoC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent C4- atoms to form NbC6 octahedra that share corners with six equivalent MoC6 octahedra, edges with six equivalent NbC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.24 Å. Mo3+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent NbC6 octahedra, edges with six equivalent NbC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Mo–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Nb5+ and three equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CNb3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1705882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}