U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrBe5 by Materials Project
Abstract
Be5Zr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Zr atoms. All Be–Be bond lengths are 2.17 Å. All Be–Zr bond lengths are 2.64 Å. In the second Be site, Be is bonded to eight Be and four equivalent Zr atoms to form a mixture of corner, edge, and face-sharing BeZr4Be8 cuboctahedra. All Be–Be bond lengths are 2.28 Å. All Be–Zr bond lengths are 2.86 Å. Zr is bonded in a 6-coordinate geometry to eighteen Be atoms.
- Publication Date:
- Other Number(s):
- mp-11283
- 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; Be-Zr; ZrBe5; crystal structure
- OSTI Identifier:
- 1187706
- DOI:
- https://doi.org/10.17188/1187706
Citation Formats
Materials Data on ZrBe5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187706.
Materials Data on ZrBe5 by Materials Project. United States. doi:https://doi.org/10.17188/1187706
2020.
"Materials Data on ZrBe5 by Materials Project". United States. doi:https://doi.org/10.17188/1187706. https://www.osti.gov/servlets/purl/1187706. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187706,
title = {Materials Data on ZrBe5 by Materials Project},
abstractNote = {Be5Zr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Zr atoms. All Be–Be bond lengths are 2.17 Å. All Be–Zr bond lengths are 2.64 Å. In the second Be site, Be is bonded to eight Be and four equivalent Zr atoms to form a mixture of corner, edge, and face-sharing BeZr4Be8 cuboctahedra. All Be–Be bond lengths are 2.28 Å. All Be–Zr bond lengths are 2.86 Å. Zr is bonded in a 6-coordinate geometry to eighteen Be atoms.},
doi = {10.17188/1187706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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