Materials Data on HfTaC2 by Materials Project
Abstract
HfTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent C4- atoms to form HfC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Hf–C bond lengths are 2.31 Å. Ta4+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent HfC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ta–C bond lengths are 2.25 Å. C4- is bonded to three equivalent Hf4+ and three equivalent Ta4+ atoms to form a mixture of corner and edge-sharing CHf3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224285
- 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; HfTaC2; C-Hf-Ta
- OSTI Identifier:
- 1706799
- DOI:
- https://doi.org/10.17188/1706799
Citation Formats
The Materials Project. Materials Data on HfTaC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706799.
The Materials Project. Materials Data on HfTaC2 by Materials Project. United States. doi:https://doi.org/10.17188/1706799
The Materials Project. 2020.
"Materials Data on HfTaC2 by Materials Project". United States. doi:https://doi.org/10.17188/1706799. https://www.osti.gov/servlets/purl/1706799. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1706799,
title = {Materials Data on HfTaC2 by Materials Project},
author = {The Materials Project},
abstractNote = {HfTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent C4- atoms to form HfC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Hf–C bond lengths are 2.31 Å. Ta4+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent HfC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ta–C bond lengths are 2.25 Å. C4- is bonded to three equivalent Hf4+ and three equivalent Ta4+ atoms to form a mixture of corner and edge-sharing CHf3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1706799},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}