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Title: Materials Data on Cs2LiIr(CN)6 by Materials Project

Abstract

Cs2Li(CN)6Ir crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All Cs–N bond lengths are 3.87 Å. Li1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. C+1.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Li1+, and one C+1.67+ atom.

Authors:
Publication Date:
Other Number(s):
mp-574653
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2LiIr(CN)6; C-Cs-Ir-Li-N
OSTI Identifier:
1276593
DOI:
https://doi.org/10.17188/1276593

Citation Formats

The Materials Project. Materials Data on Cs2LiIr(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276593.
The Materials Project. Materials Data on Cs2LiIr(CN)6 by Materials Project. United States. doi:https://doi.org/10.17188/1276593
The Materials Project. 2020. "Materials Data on Cs2LiIr(CN)6 by Materials Project". United States. doi:https://doi.org/10.17188/1276593. https://www.osti.gov/servlets/purl/1276593. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1276593,
title = {Materials Data on Cs2LiIr(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Li(CN)6Ir crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All Cs–N bond lengths are 3.87 Å. Li1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. C+1.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Li1+, and one C+1.67+ atom.},
doi = {10.17188/1276593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}