Materials Data on Co2Cu3(CN)12 by Materials Project

doi:10.17188/1651829

Title: Materials Data on Co2Cu3(CN)12 by Materials Project

Dataset
Other Related Research

Abstract

Cu(CoCu(CN)6)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one copper molecule and one CoCu(CN)6 sheet oriented in the (0, 0, 1) direction. In the CoCu(CN)6 sheet, Co+1.50+ is bonded in a distorted octahedral geometry to five C+2.50+ atoms. There is four shorter (1.86 Å) and one longer (1.87 Å) Co–C bond length. Cu1+ is bonded in an octahedral geometry to six N3- atoms. There are five shorter (2.02 Å) and one longer (2.09 Å) Cu–N bond lengths. There are three inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a distorted linear geometry to one Co+1.50+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.50+ site, C+2.50+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.50+ site, C+2.50+ is bonded in a distorted linear geometry to one Co+1.50+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Cu1+ and one C+2.50+ atom. In the second N3- site, N3- ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1226931

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; Co2Cu3(CN)12; C-Co-Cu-N

OSTI Identifier:: 1651829

DOI:: https://doi.org/10.17188/1651829

Citation Formats


                    The Materials Project. Materials Data on Co2Cu3(CN)12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651829.

Copy to clipboard


                    The Materials Project. Materials Data on Co2Cu3(CN)12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651829

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Co2Cu3(CN)12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651829.  https://www.osti.gov/servlets/purl/1651829. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1651829,

  title        = {Materials Data on Co2Cu3(CN)12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu(CoCu(CN)6)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one copper molecule and one CoCu(CN)6 sheet oriented in the (0, 0, 1) direction. In the CoCu(CN)6 sheet, Co+1.50+ is bonded in a distorted octahedral geometry to five C+2.50+ atoms. There is four shorter (1.86 Å) and one longer (1.87 Å) Co–C bond length. Cu1+ is bonded in an octahedral geometry to six N3- atoms. There are five shorter (2.02 Å) and one longer (2.09 Å) Cu–N bond lengths. There are three inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a distorted linear geometry to one Co+1.50+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.50+ site, C+2.50+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.50+ site, C+2.50+ is bonded in a distorted linear geometry to one Co+1.50+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Cu1+ and one C+2.50+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Cu1+ and one C+2.50+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Cu1+ and one C+2.50+ atom.},

  doi          = {10.17188/1651829},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1651829

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Zn3Fe2(CN)12 by Materials Project

Dataset The Materials Project

(Fe)2(Zn(CN)4)3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of twelve iron molecules and eighteen Zn(CN)4 clusters. In each Zn(CN)4 cluster, Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Zn–N bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to onemore »« less
Materials Data on Zn3Co2(CN)12 by Materials Project

Dataset The Materials Project

Co2Zn3(CN)12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. There is two shorter (1.96 Å) and two longer (1.98 Å) Zn–N bond length. There are two inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a linear geometry tomore »« less
Materials Data on Fe2Cu3(CN)12 by Materials Project

Dataset The Materials Project

(Cu)3(Fe(CN)6)2 crystallizes in the tetragonal P-4m2 space group. The structure is zero-dimensional and consists of three copper molecules and two Fe(CN)6 clusters. In each Fe(CN)6 cluster, Fe3+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Fe–N bond distances ranging from 2.05–2.10 Å. There are three inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17more »« less
Materials Data on Cd3Co2(CN)12 by Materials Project

Dataset The Materials Project

Cd(CoCd(CN)6)2 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional and consists of one cadmium molecule and one CoCd(CN)6 framework. In the CoCd(CN)6 framework, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. In the second Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread ofmore »« less
Materials Data on Zn3Co2(CN)12 by Materials Project

Dataset The Materials Project

Zn(CoZn(CN)6)2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional and consists of one CoZn(CN)6 framework and one zinc molecule. In the CoZn(CN)6 framework, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. In the second Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Zn2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Zn–Nmore »« less

Similar Records