U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Be12Cr by Materials Project
Abstract
CrBe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Cr atoms. There are a spread of Be–Be bond distances ranging from 2.09–2.35 Å. Both Be–Cr bond lengths are 2.56 Å. In the second Be site, Be is bonded to ten Be and two equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Cr2 cuboctahedra. There are two shorter (2.06 Å) and four longer (2.19 Å) Be–Be bond lengths. Both Be–Cr bond lengths are 2.74 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Cr atom. The Be–Be bond length is 2.18 Å. The Be–Cr bond length is 2.50 Å. Cr is bonded in a 12-coordinate geometry to twenty Be atoms.
- Publication Date:
- Other Number(s):
- mp-1590
- 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-Cr; Be12Cr; crystal structure
- OSTI Identifier:
- 1191437
- DOI:
- https://doi.org/10.17188/1191437
Citation Formats
Materials Data on Be12Cr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191437.
Materials Data on Be12Cr by Materials Project. United States. doi:https://doi.org/10.17188/1191437
2020.
"Materials Data on Be12Cr by Materials Project". United States. doi:https://doi.org/10.17188/1191437. https://www.osti.gov/servlets/purl/1191437. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1191437,
title = {Materials Data on Be12Cr by Materials Project},
abstractNote = {CrBe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Cr atoms. There are a spread of Be–Be bond distances ranging from 2.09–2.35 Å. Both Be–Cr bond lengths are 2.56 Å. In the second Be site, Be is bonded to ten Be and two equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing BeBe10Cr2 cuboctahedra. There are two shorter (2.06 Å) and four longer (2.19 Å) Be–Be bond lengths. Both Be–Cr bond lengths are 2.74 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Cr atom. The Be–Be bond length is 2.18 Å. The Be–Cr bond length is 2.50 Å. Cr is bonded in a 12-coordinate geometry to twenty Be atoms.},
doi = {10.17188/1191437},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}