Materials Data on Ti2MnSi by Materials Project
Ti2MnSi 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 and four equivalent Si atoms. All Ti–Ti bond lengths are 2.61 Å. All Ti–Si bond lengths are 2.61 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, four equivalent Mn, and six equivalent Si atoms. All Ti–Mn bond lengths are 2.61 Å. All Ti–Si bond lengths are 3.01 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Si atoms. All Mn–Si bond lengths are 2.61 Å. Si is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Mn 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:
- 1317455
- Report Number(s):
- mp-999047
- Country of Publication:
- United States
- Language:
- English
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