U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrBe13 by Materials Project
Abstract
Be13Zr crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.12 Å. In the second Be site, Be is bonded to ten Be and two equivalent Zr atoms to form distorted BeZr2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeZr2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.31 Å. Both Be–Zr bond lengths are 2.93 Å. Zr is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.
- Publication Date:
- Other Number(s):
- mp-30445
- 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; ZrBe13; crystal structure
- OSTI Identifier:
- 1204853
- DOI:
- https://doi.org/10.17188/1204853
Citation Formats
Materials Data on ZrBe13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204853.
Materials Data on ZrBe13 by Materials Project. United States. doi:https://doi.org/10.17188/1204853
2020.
"Materials Data on ZrBe13 by Materials Project". United States. doi:https://doi.org/10.17188/1204853. https://www.osti.gov/servlets/purl/1204853. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1204853,
title = {Materials Data on ZrBe13 by Materials Project},
abstractNote = {Be13Zr crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.12 Å. In the second Be site, Be is bonded to ten Be and two equivalent Zr atoms to form distorted BeZr2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeZr2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.31 Å. Both Be–Zr bond lengths are 2.93 Å. Zr is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.},
doi = {10.17188/1204853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}