Materials Data on Ti2GaFe by Materials Project
Ti2FeGa 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 Fe, and four equivalent Ga atoms. All Ti–Ti bond lengths are 2.65 Å. All Ti–Fe bond lengths are 3.06 Å. All Ti–Ga bond lengths are 2.65 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Fe, and six equivalent Ga atoms. All Ti–Fe bond lengths are 2.65 Å. All Ti–Ga bond lengths are 3.06 Å. Fe is bonded in a 8-coordinate geometry to ten Ti and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.65 Å. Ga is bonded in a 8-coordinate geometry to ten Ti and four equivalent Fe 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:
- 1317459
- Report Number(s):
- mp-999059
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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