skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiAl(CN2)2 by Materials Project

Abstract

LiAl(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 AlN6 octahedra. There are a spread of Li–N bond distances ranging from 2.28–2.34 Å. Al3+ is bonded to six N3- atoms to form AlN6 octahedra that share edges with two equivalent AlN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of Al–N bond distances ranging from 2.00–2.05 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.21 Å) and one longer (1.25 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Al3+, and one C4+ atom. In the second N3- site, N3- is bonded to one Li1+, two equivalent Al3+, and one C4+ atom to form a mixture of distorted corner and edge-sharing NLiAl2C trigonal pyramids.

Publication Date:
Other Number(s):
mp-1204402
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiAl(CN2)2; Al-C-Li-N
OSTI Identifier:
1740608
DOI:
https://doi.org/10.17188/1740608

Citation Formats

The Materials Project. Materials Data on LiAl(CN2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740608.
The Materials Project. Materials Data on LiAl(CN2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740608
The Materials Project. 2020. "Materials Data on LiAl(CN2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740608. https://www.osti.gov/servlets/purl/1740608. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740608,
title = {Materials Data on LiAl(CN2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAl(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 AlN6 octahedra. There are a spread of Li–N bond distances ranging from 2.28–2.34 Å. Al3+ is bonded to six N3- atoms to form AlN6 octahedra that share edges with two equivalent AlN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of Al–N bond distances ranging from 2.00–2.05 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.21 Å) and one longer (1.25 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Al3+, and one C4+ atom. In the second N3- site, N3- is bonded to one Li1+, two equivalent Al3+, and one C4+ atom to form a mixture of distorted corner and edge-sharing NLiAl2C trigonal pyramids.},
doi = {10.17188/1740608},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}