Materials Data on Ti5Si3 by Materials Project
Ti5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti+2.40+ sites. In the first Ti+2.40+ site, Ti+2.40+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Ti–Si bond lengths are 2.64 Å. In the second Ti+2.40+ site, Ti+2.40+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.57–2.78 Å. Si4- is bonded in a 9-coordinate geometry to nine Ti+2.40+ 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:
- 1196357
- Report Number(s):
- mp-2108
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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