Materials Data on Rb2FeCu(CN)6 by Materials Project

doi:10.17188/1195286

Title: Materials Data on Rb2FeCu(CN)6 by Materials Project

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Abstract

FeRb2Cu(CN)6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Rb2Cu(CN)6 framework. In the Rb2Cu(CN)6 framework, Rb1+ is bonded to twelve equivalent N3- atoms to form distorted RbN12 cuboctahedra that share corners with twelve equivalent RbN12 cuboctahedra, faces with six equivalent RbN12 cuboctahedra, and faces with four equivalent CuN6 octahedra. All Rb–N bond lengths are 3.68 Å. Cu1+ is bonded to six equivalent N3- atoms to form CuN6 octahedra that share faces with eight equivalent RbN12 cuboctahedra. All Cu–N bond lengths are 2.10 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 Rb1+, one Cu1+, and one C2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-20140

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; Rb2FeCu(CN)6; C-Cu-Fe-N-Rb

OSTI Identifier:: 1195286

DOI:: https://doi.org/10.17188/1195286

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                    The Materials Project. Materials Data on Rb2FeCu(CN)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195286.

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                    The Materials Project. Materials Data on Rb2FeCu(CN)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195286

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                    The Materials Project. 2020.  
"Materials Data on Rb2FeCu(CN)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195286.  https://www.osti.gov/servlets/purl/1195286. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1195286,

  title        = {Materials Data on Rb2FeCu(CN)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeRb2Cu(CN)6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Rb2Cu(CN)6 framework. In the Rb2Cu(CN)6 framework, Rb1+ is bonded to twelve equivalent N3- atoms to form distorted RbN12 cuboctahedra that share corners with twelve equivalent RbN12 cuboctahedra, faces with six equivalent RbN12 cuboctahedra, and faces with four equivalent CuN6 octahedra. All Rb–N bond lengths are 3.68 Å. Cu1+ is bonded to six equivalent N3- atoms to form CuN6 octahedra that share faces with eight equivalent RbN12 cuboctahedra. All Cu–N bond lengths are 2.10 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 Rb1+, one Cu1+, and one C2+ atom.},

  doi          = {10.17188/1195286},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195286

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