Materials Data on Rb2LiFe(CN)6 by Materials Project

doi:10.17188/1192409

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

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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 »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

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.

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                    The Materials Project. Materials Data on Rb2LiFe(CN)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192409

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                    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

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@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         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192409

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