U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfNbB4 by Materials Project
Abstract
HfNbB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf4+ is bonded to twelve equivalent B+1.50- atoms to form HfB12 cuboctahedra that share edges with twelve equivalent NbB12 cuboctahedra, faces with two equivalent NbB12 cuboctahedra, and faces with six equivalent HfB12 cuboctahedra. All Hf–B bond lengths are 2.50 Å. Nb2+ is bonded to twelve equivalent B+1.50- atoms to form NbB12 cuboctahedra that share edges with twelve equivalent HfB12 cuboctahedra, faces with two equivalent HfB12 cuboctahedra, and faces with six equivalent NbB12 cuboctahedra. All Nb–B bond lengths are 2.47 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Hf4+, three equivalent Nb2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.81 Å.
- Publication Date:
- Other Number(s):
- mp-1224328
- 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; B-Hf-Nb; HfNbB4; crystal structure
- OSTI Identifier:
- 1672793
- DOI:
- https://doi.org/10.17188/1672793
Citation Formats
Materials Data on HfNbB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672793.
Materials Data on HfNbB4 by Materials Project. United States. doi:https://doi.org/10.17188/1672793
2020.
"Materials Data on HfNbB4 by Materials Project". United States. doi:https://doi.org/10.17188/1672793. https://www.osti.gov/servlets/purl/1672793. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1672793,
title = {Materials Data on HfNbB4 by Materials Project},
abstractNote = {HfNbB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf4+ is bonded to twelve equivalent B+1.50- atoms to form HfB12 cuboctahedra that share edges with twelve equivalent NbB12 cuboctahedra, faces with two equivalent NbB12 cuboctahedra, and faces with six equivalent HfB12 cuboctahedra. All Hf–B bond lengths are 2.50 Å. Nb2+ is bonded to twelve equivalent B+1.50- atoms to form NbB12 cuboctahedra that share edges with twelve equivalent HfB12 cuboctahedra, faces with two equivalent HfB12 cuboctahedra, and faces with six equivalent NbB12 cuboctahedra. All Nb–B bond lengths are 2.47 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Hf4+, three equivalent Nb2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.81 Å.},
doi = {10.17188/1672793},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}