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

Abstract

LiIn(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 InN6 octahedra. There are a spread of Li–N bond distances ranging from 2.25–2.56 Å. In3+ is bonded to six N3- atoms to form InN6 octahedra that share edges with two equivalent InN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of In–N bond distances ranging from 2.24–2.28 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 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 to two equivalent Li1+, one In3+, and one C4+ atom to form a mixture of distorted edge and corner-sharing NLi2InC tetrahedra. In the second N3- site, N3- is bonded in a 4-coordinate geometry to one Li1+, two equivalent In3+, and one C4+ atom.

Publication Date:
Other Number(s):
mp-1200439
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; LiIn(CN2)2; C-In-Li-N
OSTI Identifier:
1692683
DOI:
https://doi.org/10.17188/1692683

Citation Formats

The Materials Project. Materials Data on LiIn(CN2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1692683.
The Materials Project. Materials Data on LiIn(CN2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1692683
The Materials Project. 2019. "Materials Data on LiIn(CN2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1692683. https://www.osti.gov/servlets/purl/1692683. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1692683,
title = {Materials Data on LiIn(CN2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiIn(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 InN6 octahedra. There are a spread of Li–N bond distances ranging from 2.25–2.56 Å. In3+ is bonded to six N3- atoms to form InN6 octahedra that share edges with two equivalent InN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of In–N bond distances ranging from 2.24–2.28 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 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 to two equivalent Li1+, one In3+, and one C4+ atom to form a mixture of distorted edge and corner-sharing NLi2InC tetrahedra. In the second N3- site, N3- is bonded in a 4-coordinate geometry to one Li1+, two equivalent In3+, and one C4+ atom.},
doi = {10.17188/1692683},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}