Materials Data on LiYb(CN2)2 by Materials Project
LiYb(CN2)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six N3- atoms to form LiN6 octahedra that share edges with two equivalent LiN6 octahedra and edges with four equivalent YbN6 octahedra. There are a spread of Li–N bond distances ranging from 2.22–2.56 Å. Yb3+ is bonded to six N3- atoms to form YbN6 octahedra that share edges with two equivalent YbN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of Yb–N bond distances ranging from 2.39–2.42 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+, one Yb3+, and one C4+ atom. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Yb3+, and one C4+ 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:
- 1704540
- Report Number(s):
- mp-1201952
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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