Materials Data on Ni4N3 by Materials Project
Ni4N3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ni–N bond lengths are 1.98 Å. In the second Ni+2.25+ site, Ni+2.25+ is bonded to six equivalent N3- atoms to form corner-sharing NiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–N bond lengths are 1.98 Å. N3- is bonded to six Ni+2.25+ atoms to form a mixture of edge and corner-sharing NNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1715122
- Report Number(s):
- mp-1094084
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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