Materials Data on Ti2CoSi by Materials Project
Ti2CoSi is Zintl Phase-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 4-coordinate geometry to four equivalent Ti, six equivalent Co, and four equivalent Si atoms. All Ti–Ti bond lengths are 2.61 Å. All Ti–Co bond lengths are 3.01 Å. All Ti–Si bond lengths are 2.61 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Co, and six equivalent Si atoms. All Ti–Co bond lengths are 2.61 Å. All Ti–Si bond lengths are 3.01 Å. Co is bonded in a 8-coordinate geometry to ten Ti and four equivalent Si atoms. All Co–Si bond lengths are 2.61 Å. Si is bonded in a 8-coordinate geometry to ten Ti and four equivalent Co 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:
- 1317460
- Report Number(s):
- mp-999060
- Country of Publication:
- United States
- Language:
- English
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