Materials Data on Ba3N2 by Materials Project
Ba3N2 is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ba3N framework. In the Ba3N framework, Ba2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ba–N bond lengths are 2.68 Å. N3- is bonded to six equivalent Ba2+ atoms to form corner-sharing NBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1330009
- Report Number(s):
- mp-1013528
- Country of Publication:
- United States
- Language:
- English
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