Materials Data on ZrTiMo4 by Materials Project
ZrTiMo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Mo atoms. All Zr–Ti bond lengths are 3.26 Å. All Zr–Mo bond lengths are 3.13 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Mo atoms. All Ti–Mo bond lengths are 3.12 Å. Mo is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Mo atoms to form a mixture of edge, face, and corner-sharing MoZr3Ti3Mo6 cuboctahedra. There are three shorter (2.66 Å) and three longer (2.67 Å) Mo–Mo bond lengths.
- 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:
- 1715363
- Report Number(s):
- mp-1215177
- Country of Publication:
- United States
- Language:
- English
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