Materials Data on TaN by Materials Project
TaN crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ta3+ is bonded to six N3- atoms to form a mixture of face, edge, and corner-sharing TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are four shorter (2.20 Å) and two longer (2.68 Å) Ta–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Ta3+ atoms to form a mixture of distorted face, edge, and corner-sharing NTa6 pentagonal pyramids. In the second N3- site, N3- is bonded in a hexagonal planar geometry to six equivalent Ta3+ 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:
- 1275714
- Report Number(s):
- mp-570454
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on TaN by Materials Project
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