Materials Data on Na3H6Rh by Materials Project
Na3RhH6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Na–H bond distances ranging from 2.16–2.64 Å. In the second Na1+ site, Na1+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Na–H bond distances ranging from 2.24–2.65 Å. In the third Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Na–H bond distances ranging from 2.40–2.50 Å. Rh3+ is bonded in an octahedral geometry to six H1- atoms. There are a spread of Rh–H bond distances ranging from 1.66–1.69 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ atom. In the second H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ atom. In the third H1- site, H1- is bonded to four Na1+ and one Rh3+ atom to form a mixture of distorted corner, edge, and face-sharing HNa4Rh square pyramids. In the fourth H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ 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:
- 1200219
- Report Number(s):
- mp-24747
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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