Materials Data on TiNbCr4 by Materials Project
TiNbCr4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Nb and twelve equivalent Cr atoms. All Ti–Nb bond lengths are 2.99 Å. All Ti–Cr bond lengths are 2.86 Å. Nb is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Cr atoms. All Nb–Cr bond lengths are 2.86 Å. Cr is bonded to three equivalent Ti, three equivalent Nb, and six equivalent Cr atoms to form a mixture of edge, face, and corner-sharing CrTi3Nb3Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.44 Å.
- 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:
- 1754936
- Report Number(s):
- mp-1216666
- Country of Publication:
- United States
- Language:
- English
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