Materials Data on Na4H6Ru by Materials Project
Na4RuH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six equivalent H1- atoms. All Na–H bond lengths are 2.34 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent H1- atoms. There are four shorter (2.40 Å) and two longer (2.50 Å) Na–H bond lengths. Ru2+ is bonded in an octahedral geometry to six equivalent H1- atoms. All Ru–H bond lengths are 1.74 Å. H1- is bonded to four Na1+ and one Ru2+ atom to form a mixture of corner and face-sharing HNa4Ru square pyramids.
- 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:
- 1280231
- Report Number(s):
- mp-643001
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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