U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti6Be15Cu8 by Materials Project
Abstract
Be15Ti6Cu8 crystallizes in the cubic Fm-3m 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 four equivalent Be, four equivalent Ti, and four equivalent Cu atoms. All Be–Be bond lengths are 2.20 Å. All Be–Ti bond lengths are 2.75 Å. All Be–Cu bond lengths are 2.35 Å. In the second Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Be–Cu bond lengths are 2.27 Å. In the third Be site, Be is bonded to six Be, three equivalent Ti, and three equivalent Cu atoms to form a mixture of distorted corner and face-sharing BeTi3Be6Cu3 cuboctahedra. All Be–Be bond lengths are 2.33 Å. All Be–Ti bond lengths are 2.65 Å. All Be–Cu bond lengths are 2.33 Å. Ti is bonded in a 8-coordinate geometry to eight Be, four equivalent Ti, and four equivalent Cu atoms. All Ti–Ti bond lengths are 3.00 Å. All Ti–Cu bond lengths are 2.69 Å. Cu is bonded in a 10-coordinate geometry to seven Be and three equivalent Ti atoms.
- Publication Date:
- Other Number(s):
- mp-1208242
- 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-Cu-Ti; Ti6Be15Cu8; crystal structure
- OSTI Identifier:
- 1705505
- DOI:
- https://doi.org/10.17188/1705505
Citation Formats
Materials Data on Ti6Be15Cu8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705505.
Materials Data on Ti6Be15Cu8 by Materials Project. United States. doi:https://doi.org/10.17188/1705505
2020.
"Materials Data on Ti6Be15Cu8 by Materials Project". United States. doi:https://doi.org/10.17188/1705505. https://www.osti.gov/servlets/purl/1705505. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1705505,
title = {Materials Data on Ti6Be15Cu8 by Materials Project},
abstractNote = {Be15Ti6Cu8 crystallizes in the cubic Fm-3m 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 four equivalent Be, four equivalent Ti, and four equivalent Cu atoms. All Be–Be bond lengths are 2.20 Å. All Be–Ti bond lengths are 2.75 Å. All Be–Cu bond lengths are 2.35 Å. In the second Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Be–Cu bond lengths are 2.27 Å. In the third Be site, Be is bonded to six Be, three equivalent Ti, and three equivalent Cu atoms to form a mixture of distorted corner and face-sharing BeTi3Be6Cu3 cuboctahedra. All Be–Be bond lengths are 2.33 Å. All Be–Ti bond lengths are 2.65 Å. All Be–Cu bond lengths are 2.33 Å. Ti is bonded in a 8-coordinate geometry to eight Be, four equivalent Ti, and four equivalent Cu atoms. All Ti–Ti bond lengths are 3.00 Å. All Ti–Cu bond lengths are 2.69 Å. Cu is bonded in a 10-coordinate geometry to seven Be and three equivalent Ti atoms.},
doi = {10.17188/1705505},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}