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Title: Materials Data on Rb2LiFe(CN)6 by Materials Project

Abstract

Rb2Li(CN)6Fe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two iron molecules and one Rb2Li(CN)6 framework. In the Rb2Li(CN)6 framework, Rb1+ is bonded in a 3-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 3.12–3.48 Å. Li1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Li–N bond distances ranging from 2.24–2.33 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Li1+, and one C2+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Li1+, and one C2+ atom.more » In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Li1+, and one C2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17241
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; Rb2LiFe(CN)6; C-Fe-Li-N-Rb
OSTI Identifier:
1192409
DOI:
https://doi.org/10.17188/1192409

Citation Formats

The Materials Project. Materials Data on Rb2LiFe(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192409.
The Materials Project. Materials Data on Rb2LiFe(CN)6 by Materials Project. United States. doi:https://doi.org/10.17188/1192409
The Materials Project. 2020. "Materials Data on Rb2LiFe(CN)6 by Materials Project". United States. doi:https://doi.org/10.17188/1192409. https://www.osti.gov/servlets/purl/1192409. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192409,
title = {Materials Data on Rb2LiFe(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Li(CN)6Fe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two iron molecules and one Rb2Li(CN)6 framework. In the Rb2Li(CN)6 framework, Rb1+ is bonded in a 3-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 3.12–3.48 Å. Li1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Li–N bond distances ranging from 2.24–2.33 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Li1+, and one C2+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Li1+, and one C2+ atom. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Li1+, and one C2+ atom.},
doi = {10.17188/1192409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}