U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiY(CN2)2 by Materials Project
Abstract
LiY(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 YN6 octahedra. There are a spread of Li–N bond distances ranging from 2.29–2.59 Å. Y3+ is bonded to six N3- atoms to form YN6 octahedra that share edges with two equivalent YN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of Y–N bond distances ranging from 2.33–2.40 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 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 4-coordinate geometry to one Li1+, two equivalent Y3+, and one C4+ atom. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Y3+, and one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-1198519
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Li-N-Y; LiY(CN2)2; crystal structure
- OSTI Identifier:
- 1719261
- DOI:
- https://doi.org/10.17188/1719261
Citation Formats
Materials Data on LiY(CN2)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1719261.
Materials Data on LiY(CN2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1719261
2019.
"Materials Data on LiY(CN2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1719261. https://www.osti.gov/servlets/purl/1719261. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1719261,
title = {Materials Data on LiY(CN2)2 by Materials Project},
abstractNote = {LiY(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 YN6 octahedra. There are a spread of Li–N bond distances ranging from 2.29–2.59 Å. Y3+ is bonded to six N3- atoms to form YN6 octahedra that share edges with two equivalent YN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of Y–N bond distances ranging from 2.33–2.40 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 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 4-coordinate geometry to one Li1+, two equivalent Y3+, and one C4+ atom. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Y3+, and one C4+ atom.},
doi = {10.17188/1719261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 23:00:00 EST 2019},
month = {Fri Jan 11 23:00:00 EST 2019}
}