Materials Data on Cs2LiMn(CN)6 by Materials Project

doi:10.17188/1284168

Title: Materials Data on Cs2LiMn(CN)6 by Materials Project

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Abstract

Cs2Li(CN)6Mn crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four manganese molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded to twelve equivalent N3- atoms to form distorted CsN12 cuboctahedra that share corners with twelve equivalent CsN12 cuboctahedra, faces with six equivalent CsN12 cuboctahedra, and faces with four equivalent LiN6 octahedra. All Cs–N bond lengths are 3.82 Å. Li1+ is bonded to six equivalent N3- atoms to form LiN6 octahedra that share faces with eight equivalent CsN12 cuboctahedra. All Li–N bond lengths are 2.23 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Li1+, and one C2+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-6854

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; Cs2LiMn(CN)6; C-Cs-Li-Mn-N

OSTI Identifier:: 1284168

DOI:: https://doi.org/10.17188/1284168

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                    The Materials Project. Materials Data on Cs2LiMn(CN)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284168.

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                    The Materials Project. Materials Data on Cs2LiMn(CN)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284168

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                    The Materials Project. 2020.  
"Materials Data on Cs2LiMn(CN)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284168.  https://www.osti.gov/servlets/purl/1284168. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1284168,

  title        = {Materials Data on Cs2LiMn(CN)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2Li(CN)6Mn crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four manganese molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded to twelve equivalent N3- atoms to form distorted CsN12 cuboctahedra that share corners with twelve equivalent CsN12 cuboctahedra, faces with six equivalent CsN12 cuboctahedra, and faces with four equivalent LiN6 octahedra. All Cs–N bond lengths are 3.82 Å. Li1+ is bonded to six equivalent N3- atoms to form LiN6 octahedra that share faces with eight equivalent CsN12 cuboctahedra. All Li–N bond lengths are 2.23 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Li1+, and one C2+ atom.},

  doi          = {10.17188/1284168},

  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/10.17188/1284168

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