Materials Data on CoSeS by Materials Project

doi:10.17188/1737984

Title: Materials Data on CoSeS by Materials Project

Dataset
Other Related Research

Abstract

CoSeS is pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Co4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form corner-sharing CoSe3S3 octahedra. The corner-sharing octahedral tilt angles are 63°. All Co–Se bond lengths are 2.40 Å. All Co–S bond lengths are 2.31 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one S2- atom. The Se–S bond length is 2.39 Å. S2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one Se2- atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1226030

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; Co-S-Se; CoSeS; crystal structure

OSTI Identifier:: 1737984

DOI:: https://doi.org/10.17188/1737984

Citation Formats


                    Materials Data on CoSeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1737984.

Copy to clipboard


                    Materials Data on CoSeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1737984

Copy to clipboard


                    2020.  
"Materials Data on CoSeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1737984.  https://www.osti.gov/servlets/purl/1737984. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1737984,

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

  
  abstractNote = {CoSeS is pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Co4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form corner-sharing CoSe3S3 octahedra. The corner-sharing octahedral tilt angles are 63°. All Co–Se bond lengths are 2.40 Å. All Co–S bond lengths are 2.31 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one S2- atom. The Se–S bond length is 2.39 Å. S2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one Se2- atom.},

  doi          = {10.17188/1737984},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1737984

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CoSe by Materials Project

Dataset

CoSe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Se2- atoms to form a mixture of corner, edge, and face-sharing CoSe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Co–Se bond lengths are 2.46 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Co2+ atoms.
Materials Data on CoSe by Materials Project

Dataset

CoSe is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CoSe sheet oriented in the (0, 0, 1) direction. Co2+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.31 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Co2+ atoms.
Materials Data on Tl(CoSe)2 by Materials Project

Dataset

TlCo2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.34 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Tl–Se bond lengths are 3.44 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Co+1.50+ and four equivalent Tl1+ atoms.
Materials Data on K(CoSe)2 by Materials Project

Dataset

KCo2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.41 Å. Co+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.35 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Co+1.50+ atoms.
Materials Data on Rb(CoSe)2 by Materials Project

Dataset

Rb(CoSe)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.52 Å. Co+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.36 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Co+1.50+ atoms.

Similar Records