Materials Data on Ti2Sn by Materials Project
Ti2Sn is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Ti–Ti bond lengths are 2.82 Å. All Ti–Sn bond lengths are 2.82 Å. In the second Ti site, Ti is bonded in a distorted q6 geometry to four equivalent Ti and six equivalent Sn atoms. All Ti–Sn bond lengths are 3.25 Å. Sn is bonded in a 4-coordinate geometry to ten Ti atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1325103
- Report Number(s):
- mp-1008688
- Country of Publication:
- United States
- Language:
- English
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