U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf2HC by Materials Project
Abstract
Hf2CH is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf is bonded to three equivalent C and three equivalent H atoms to form a mixture of edge and corner-sharing HfH3C3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–C bond lengths are 2.26 Å. All Hf–H bond lengths are 2.36 Å. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent HHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°. H is bonded to six equivalent Hf atoms to form HHf6 octahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°.
- Publication Date:
- Other Number(s):
- mp-1224333
- 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-H-Hf; Hf2HC; crystal structure
- OSTI Identifier:
- 1710892
- DOI:
- https://doi.org/10.17188/1710892
Citation Formats
Materials Data on Hf2HC by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710892.
Materials Data on Hf2HC by Materials Project. United States. doi:https://doi.org/10.17188/1710892
2020.
"Materials Data on Hf2HC by Materials Project". United States. doi:https://doi.org/10.17188/1710892. https://www.osti.gov/servlets/purl/1710892. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1710892,
title = {Materials Data on Hf2HC by Materials Project},
abstractNote = {Hf2CH is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf is bonded to three equivalent C and three equivalent H atoms to form a mixture of edge and corner-sharing HfH3C3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–C bond lengths are 2.26 Å. All Hf–H bond lengths are 2.36 Å. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent HHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°. H is bonded to six equivalent Hf atoms to form HHf6 octahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1710892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}