Materials Data on LiCa3RuO6 by Materials Project
Ca3LiRuO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 pentagonal pyramids that share faces with two equivalent RuO6 octahedra. All Li–O bond lengths are 2.24 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.76 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share faces with two equivalent LiO6 pentagonal pyramids. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a 6-coordinate geometry to one Li1+, four equivalent Ca2+, and one Ru5+ 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:
- 1279455
- Report Number(s):
- mp-6342
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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