U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VCrB2 by Materials Project
Abstract
(VCr)B2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. V3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.20–2.30 Å. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.20–2.31 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent V3+, three equivalent Cr3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent V3+, four equivalent Cr3+, and two equivalent B3- atoms.
- Publication Date:
- Other Number(s):
- mp-1216398
- 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-Cr-V; VCrB2; crystal structure
- OSTI Identifier:
- 1713489
- DOI:
- https://doi.org/10.17188/1713489
Citation Formats
Materials Data on VCrB2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1713489.
Materials Data on VCrB2 by Materials Project. United States. doi:https://doi.org/10.17188/1713489
2020.
"Materials Data on VCrB2 by Materials Project". United States. doi:https://doi.org/10.17188/1713489. https://www.osti.gov/servlets/purl/1713489. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1713489,
title = {Materials Data on VCrB2 by Materials Project},
abstractNote = {(VCr)B2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. V3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.20–2.30 Å. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.20–2.31 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent V3+, three equivalent Cr3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.78 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent V3+, four equivalent Cr3+, and two equivalent B3- atoms.},
doi = {10.17188/1713489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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