Materials Data on NaTi3 by Materials Project
NaTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ti atoms to form a mixture of face and corner-sharing NaTi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.07 Å) Na–Ti bond lengths. Ti is bonded in a 12-coordinate geometry to four equivalent Na and eight equivalent Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.83–3.30 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:
- 1732500
- Report Number(s):
- mp-1186192
- Country of Publication:
- United States
- Language:
- English
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