U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Be17Nb2 by Materials Project
Abstract
Be17Nb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded in a 1-coordinate geometry to thirteen Be and one Nb atom. There are a spread of Be–Be bond distances ranging from 2.12–2.41 Å. The Be–Nb bond length is 2.60 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Nb atoms. There are four shorter (2.11 Å) and four longer (2.15 Å) Be–Be bond lengths. Both Be–Nb bond lengths are 2.84 Å. In the third Be site, Be is bonded to ten Be and two equivalent Nb atoms to form distorted BeBe10Nb2 cuboctahedra that share corners with twenty BeBe9Nb3 cuboctahedra, edges with three BeBe9Nb3 cuboctahedra, and faces with seventeen BeBe10Nb2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.26 Å. Both Be–Nb bond lengths are 2.62 Å. In the fourth Be site, Be is bonded to nine Be and three equivalent Nb atoms to form distorted BeBe9Nb3 cuboctahedra that share corners with eighteen BeBe9Nb3 cuboctahedra, edges with seven BeBe9Nb3 cuboctahedra, and faces with seventeen BeBe10Nb2 cuboctahedra. Both Be–Be bond lengths are 2.11more »
- Publication Date:
- Other Number(s):
- mp-30441
- 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-Nb; Be17Nb2; crystal structure
- OSTI Identifier:
- 1204849
- DOI:
- https://doi.org/10.17188/1204849
Citation Formats
Materials Data on Be17Nb2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204849.
Materials Data on Be17Nb2 by Materials Project. United States. doi:https://doi.org/10.17188/1204849
2020.
"Materials Data on Be17Nb2 by Materials Project". United States. doi:https://doi.org/10.17188/1204849. https://www.osti.gov/servlets/purl/1204849. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1204849,
title = {Materials Data on Be17Nb2 by Materials Project},
abstractNote = {Be17Nb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Be sites. In the first Be site, Be is bonded in a 1-coordinate geometry to thirteen Be and one Nb atom. There are a spread of Be–Be bond distances ranging from 2.12–2.41 Å. The Be–Nb bond length is 2.60 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Nb atoms. There are four shorter (2.11 Å) and four longer (2.15 Å) Be–Be bond lengths. Both Be–Nb bond lengths are 2.84 Å. In the third Be site, Be is bonded to ten Be and two equivalent Nb atoms to form distorted BeBe10Nb2 cuboctahedra that share corners with twenty BeBe9Nb3 cuboctahedra, edges with three BeBe9Nb3 cuboctahedra, and faces with seventeen BeBe10Nb2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.26 Å. Both Be–Nb bond lengths are 2.62 Å. In the fourth Be site, Be is bonded to nine Be and three equivalent Nb atoms to form distorted BeBe9Nb3 cuboctahedra that share corners with eighteen BeBe9Nb3 cuboctahedra, edges with seven BeBe9Nb3 cuboctahedra, and faces with seventeen BeBe10Nb2 cuboctahedra. Both Be–Be bond lengths are 2.11 Å. There are one shorter (2.63 Å) and two longer (2.78 Å) Be–Nb bond lengths. Nb is bonded in a 10-coordinate geometry to nineteen Be atoms.},
doi = {10.17188/1204849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}