Materials Data on Cs2MgFe(CN)6 by Materials Project

doi:10.17188/1287677

Title: Materials Data on Cs2MgFe(CN)6 by Materials Project

Dataset
Other Related Research

Abstract

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-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 Mg2+, and one C+1.83+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-7331

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; Cs2MgFe(CN)6; C-Cs-Fe-Mg-N

OSTI Identifier:: 1287677

DOI:: https://doi.org/10.17188/1287677

Citation Formats


                    The Materials Project. Materials Data on Cs2MgFe(CN)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287677.

Copy to clipboard


                    The Materials Project. Materials Data on Cs2MgFe(CN)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287677

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Cs2MgFe(CN)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287677.  https://www.osti.gov/servlets/purl/1287677. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1287677,

  title        = {Materials Data on Cs2MgFe(CN)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {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-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 Mg2+, and one C+1.83+ atom.},

  doi          = {10.17188/1287677},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1287677

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Rb2FeCu(CN)6 by Materials Project

Dataset The Materials Project

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-bondmore »« less
Materials Data on Li2FeCu(CN)6 by Materials Project

Dataset The Materials Project

(Li)2FeCu(CN)6 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four iron molecules, eight lithium molecules, and four Cu(CN)6 clusters. In each Cu(CN)6 cluster, Cu1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Cu–N bond lengths are 2.07 Å. C2+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to one Cu1+ and one C2+ atom.
Materials Data on Cs2NaMn(CN)6 by Materials Project

Dataset The Materials Project

Cs2Na(CN)6Mn crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two manganese molecules and one Cs2Na(CN)6 framework. In the Cs2Na(CN)6 framework, Cs1+ is bonded in a 4-coordinate geometry to eight N3- atoms. There are a spread of Cs–N bond distances ranging from 3.31–3.83 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Na–N bond distances ranging from 2.51–2.55 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 Cs2LiCr(CN)6 by Materials Project

Dataset The Materials Project

Cs2LiCr(CN)6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four chromium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All Cs–N bond lengths are 3.88 Å. Li1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Li–N bond lengths are 2.22 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.
Materials Data on K2FeCo(CN)6 by Materials Project

Dataset The Materials Project

K2CoFe(CN)6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iron molecules and one K2Co(CN)6 framework. In the K2Co(CN)6 framework, K1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All K–N bond lengths are 3.60 Å. Co2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Co–N bond lengths are 1.98 Å. C+1.83+ 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 K1+, one Co2+, and one C+1.83+ atom.

Similar Records