Materials Data on TiSiPt by Materials Project
TiPtSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti2+ is bonded to four equivalent Pt2+ and six equivalent Si4- atoms to form distorted TiSi6Pt4 tetrahedra that share corners with four equivalent SiTi6Pt4 tetrahedra, corners with six equivalent TiSi6Pt4 tetrahedra, edges with six equivalent SiTi6Pt4 tetrahedra, and faces with twelve equivalent TiSi6Pt4 tetrahedra. All Ti–Pt bond lengths are 2.55 Å. All Ti–Si bond lengths are 2.95 Å. Pt2+ is bonded in a body-centered cubic geometry to four equivalent Ti2+ and four equivalent Si4- atoms. All Pt–Si bond lengths are 2.55 Å. Si4- is bonded to six equivalent Ti2+ and four equivalent Pt2+ atoms to form distorted SiTi6Pt4 tetrahedra that share corners with four equivalent TiSi6Pt4 tetrahedra, corners with six equivalent SiTi6Pt4 tetrahedra, edges with six equivalent TiSi6Pt4 tetrahedra, and faces with twelve equivalent SiTi6Pt4 tetrahedra.
- 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:
- 1313433
- Report Number(s):
- mp-961706
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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