Materials Data on TiBe12 by Materials Project
Be12Ti 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 Ti atoms. There are a spread of Be–Be bond distances ranging from 2.07–2.23 Å. Both Be–Ti bond lengths are 2.79 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ti atoms to form a mixture of distorted corner, edge, and face-sharing BeTi2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.26–2.34 Å. Both Be–Ti bond lengths are 2.62 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ti atom. The Be–Be bond length is 2.19 Å. The Be–Ti bond length is 2.57 Å. Ti is bonded in a 12-coordinate geometry to twenty Be atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1681441
- Report Number(s):
- mp-1104067
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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