Materials Data on Ba3CrN3 by Materials Project
Ba3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five equivalent N3- atoms. There are a spread of Ba–N bond distances ranging from 2.83–3.38 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to five equivalent Ba2+ and one Cr3+ atom.
- 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:
- 1189259
- Report Number(s):
- mp-12905
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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