U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrB by Materials Project
Abstract
ZrB is Caswellsilverite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.42 Å. In the second Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.51 Å. B3- is bonded to six Zr3+ atoms to form a mixture of corner, edge, and face-sharing BZr6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°.
- Publication Date:
- Other Number(s):
- mp-1014138
- 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-Zr; ZrB; crystal structure
- OSTI Identifier:
- 1330930
- DOI:
- https://doi.org/10.17188/1330930
Citation Formats
Materials Data on ZrB by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1330930.
Materials Data on ZrB by Materials Project. United States. doi:https://doi.org/10.17188/1330930
2020.
"Materials Data on ZrB by Materials Project". United States. doi:https://doi.org/10.17188/1330930. https://www.osti.gov/servlets/purl/1330930. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330930,
title = {Materials Data on ZrB by Materials Project},
abstractNote = {ZrB is Caswellsilverite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.42 Å. In the second Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.51 Å. B3- is bonded to six Zr3+ atoms to form a mixture of corner, edge, and face-sharing BZr6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°.},
doi = {10.17188/1330930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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