Materials Data on Na4ReN3 by Materials Project
Na4ReN3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.45–2.58 Å. In the second Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.34–2.49 Å. In the third Na1+ site, Na1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 trigonal pyramids. There are a spread of Na–N bond distances ranging from 2.44–2.64 Å. In the fourth Na1+ site, Na1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 trigonal pyramids. There are a spread of Na–N bond distances ranging from 2.47–2.62 Å. Re5+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Re–N bond distances ranging from 1.81–1.83 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four Na1+ and one Re5+ atom. In the second N3- site, N3- is bonded in a 6-coordinate geometry to five Na1+ and one Re5+ atom. In the third N3- site, N3- is bonded to five Na1+ and one Re5+ atom to form distorted corner-sharing NNa5Re octahedra. The corner-sharing octahedral tilt angles are 55°.
- 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:
- 1187103
- Report Number(s):
- mp-10419
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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