Materials Data on Rb2LiRuCl6 by Materials Project
Rb2LiRuCl6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with three equivalent LiCl6 octahedra, corners with three equivalent RuCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, faces with three equivalent LiCl6 octahedra, and faces with three equivalent RuCl6 octahedra. The corner-sharing octahedra tilt angles range from 14–19°. There are a spread of Rb–Cl bond distances ranging from 3.56–3.80 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent RuCl6 octahedra. All Li–Cl bond lengths are 2.53 Å. Ru3+ is bonded to six equivalent Cl1- atoms to form RuCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent LiCl6 octahedra. All Ru–Cl bond lengths are 2.39 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Li1+, and one Ru3+ 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:
- 1713784
- Report Number(s):
- mp-1206553
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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