Materials Data on Ta4N5 by Materials Project
Ta4N5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ta+3.75+ is bonded to six N3- atoms to form a mixture of corner and edge-sharing TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Ta–N bond distances ranging from 2.09–2.23 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent Ta+3.75+ atoms. In the second N3- site, N3- is bonded to five equivalent Ta+3.75+ atoms to form a mixture of corner and edge-sharing NTa5 square pyramids.
- 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:
- 1307911
- Report Number(s):
- mp-8046
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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