Materials Data on K3Co by Materials Project

doi:10.17188/1676793

Title: Materials Data on K3Co by Materials Project

Dataset
Other Related Research

Abstract

K3Co crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two K3Co ribbons oriented in the (0, 0, 1) direction. there are two inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to two equivalent Co atoms. Both K–Co bond lengths are 4.10 Å. In the second K site, K is bonded in a 1-coordinate geometry to one Co atom. The K–Co bond length is 4.13 Å. Co is bonded in a square co-planar geometry to four K atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1079139

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; K3Co; Co-K

OSTI Identifier:: 1676793

DOI:: https://doi.org/10.17188/1676793

Citation Formats


                    The Materials Project. Materials Data on K3Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676793.

Copy to clipboard


                    The Materials Project. Materials Data on K3Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1676793

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on K3Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1676793.  https://www.osti.gov/servlets/purl/1676793. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1676793,

  title        = {Materials Data on K3Co by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Co crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two K3Co ribbons oriented in the (0, 0, 1) direction. there are two inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to two equivalent Co atoms. Both K–Co bond lengths are 4.10 Å. In the second K site, K is bonded in a 1-coordinate geometry to one Co atom. The K–Co bond length is 4.13 Å. Co is bonded in a square co-planar geometry to four K atoms.},

  doi          = {10.17188/1676793},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1676793

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on K3Co(NO2)6 (SG:202) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3Co(CN)6 by Materials Project

Dataset The Materials Project

K3Co(CN)6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of eight cobalt molecules and one K(CN)2 framework. In the K(CN)2 framework, there are four inequivalent K1+ sites. In the first 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 2.94–3.09 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 2.73–3.02 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometrymore »« less
Materials Data on K3Co(CN)6 by Materials Project

Dataset The Materials Project

K3Co(CN)6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two cobalt 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 7-coordinate geometry to seven N3- atoms. There are a spread of K–N bond distances ranging from 2.89–3.44 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 2.86–2.98 Å. There are three inequivalent C+2.33+ sites. In the first C+2.33+ site, C+2.33+more »« less
Materials Data on K3Co(CN)6 by Materials Project

Dataset The Materials Project

K3Co(CN)6 crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional and consists of eight cobalt molecules and one K(CN)2 framework. In the K(CN)2 framework, there are seven inequivalent K1+ sites. In the first 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 2.92–3.05 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 2.69–3.03 Å. In the third K1+ site, K1+ is bonded in an octahedral geometrymore »« less
Materials Data on K3Co(CN)6 (SG:14) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records