U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbVB4 by Materials Project
Abstract
NbVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb2+ is bonded to twelve equivalent B+1.50- atoms to form NbB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent NbB12 cuboctahedra. All Nb–B bond lengths are 2.44 Å. V4+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent NbB12 cuboctahedra, faces with two equivalent NbB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.32 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Nb2+, three equivalent V4+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.
- Publication Date:
- Other Number(s):
- mp-1220351
- 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-Nb-V; NbVB4; crystal structure
- OSTI Identifier:
- 1666927
- DOI:
- https://doi.org/10.17188/1666927
Citation Formats
Materials Data on NbVB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1666927.
Materials Data on NbVB4 by Materials Project. United States. doi:https://doi.org/10.17188/1666927
2020.
"Materials Data on NbVB4 by Materials Project". United States. doi:https://doi.org/10.17188/1666927. https://www.osti.gov/servlets/purl/1666927. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1666927,
title = {Materials Data on NbVB4 by Materials Project},
abstractNote = {NbVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb2+ is bonded to twelve equivalent B+1.50- atoms to form NbB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent NbB12 cuboctahedra. All Nb–B bond lengths are 2.44 Å. V4+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent NbB12 cuboctahedra, faces with two equivalent NbB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.32 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Nb2+, three equivalent V4+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.},
doi = {10.17188/1666927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}