Materials Data on Rb2FeCu(CN)6 by Materials Project

doi:10.17188/1195286

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

Dataset
Other Related Research

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.

Publication Date:: 2020-07-14

Other Number(s):: mp-20140

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Cu-Fe-N-Rb; Rb2FeCu(CN)6; crystal structure

OSTI Identifier:: 1195286

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

Citation Formats


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

Copy to clipboard


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

Copy to clipboard


                    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

Copy to clipboard


                    
@article{osti_1195286,

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

}

Copy to clipboard

Dataset:

View Dataset

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

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Rb2NaFe(CN)6 by Materials Project

Dataset

Rb2Na(CN)6Fe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two iron molecules and one Rb2Na(CN)6 framework. In the Rb2Na(CN)6 framework, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.65 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Na–N bond distances ranging from 2.52–2.56 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 1.18more »« less
Materials Data on Cs2MgFe(CN)6 by Materials Project

Dataset

Cs2Mg(CN)6Fe crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one Cs2Mg(CN)6 framework. In the Cs2Mg(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 MgN6 octahedra. All Cs–N bond lengths are 3.73 Å. Mg2+ is bonded to six equivalent N3- atoms to form MgN6 octahedra that share faces with eight equivalent CsN12 cuboctahedra. All Mg–N bond lengths are 2.17 Å. C+1.83+ is bonded in a single-bondmore »« less
Materials Data on K3Mn(CN)6 by Materials Project

Dataset

K3Mn(CN)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two manganese molecules and one K(CN)2 framework. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.86–3.02 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.87–3.30 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+more »« less
Materials Data on Cs2LiCr(CN)6 by Materials Project

Dataset

Cs2LiCr(CN)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two chromium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Cs–N bond distances ranging from 3.60–3.65 Å. Li1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (2.23 Å) and four longer (2.25 Å) Li–N bond lengths. 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 lengthmore »« less
Materials Data on K3Fe(CN)6 by Materials Project

Dataset

K3Fe(CN)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two iron molecules and one K(CN)2 framework. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.89–3.29 Å. In the second K1+ site, K1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.83–3.01 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+more »« less

Similar Records