Materials Data on CoHgC4(SeN)4 by Materials Project

doi:10.17188/1188788

Title: Materials Data on CoHgC4(SeN)4 by Materials Project

Dataset
Other Related Research

Abstract

CoHgC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Co2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Co–N bond lengths are 1.92 Å. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.73 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. Se2- is bonded in an L-shaped geometry to one Hg2+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-12422

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; CoHgC4(SeN)4; C-Co-Hg-N-Se

OSTI Identifier:: 1188788

DOI:: https://doi.org/10.17188/1188788

Citation Formats


                    The Materials Project. Materials Data on CoHgC4(SeN)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188788.

Copy to clipboard


                    The Materials Project. Materials Data on CoHgC4(SeN)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188788

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CoHgC4(SeN)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188788.  https://www.osti.gov/servlets/purl/1188788. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1188788,

  title        = {Materials Data on CoHgC4(SeN)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoHgC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Co2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Co–N bond lengths are 1.92 Å. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.73 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. Se2- is bonded in an L-shaped geometry to one Hg2+ and one C4+ atom.},

  doi          = {10.17188/1188788},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1188788

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on MnHgC4(SeN)4 by Materials Project

Dataset The Materials Project

MnHgC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Mn–N bond lengths are 2.03 Å. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.74 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. Se2- is bonded in an L-shaped geometry tomore » one Hg2+ and one C4+ atom.« less
Materials Data on CdHgC4(SeN)4 by Materials Project

Dataset The Materials Project

HgCdC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.74 Å. Cd2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Cd–N bond lengths are 2.20 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Cd2+ and one C4+ atom. Se2- is bonded in an L-shaped geometry tomore » one Hg2+ and one C4+ atom.« less
Materials Data on ZnCdC4(SeN)4 by Materials Project

Dataset The Materials Project

CdZnC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Cd–Se bond lengths are 2.71 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.97 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. Se2- is bonded in a distorted L-shaped geometrymore » to one Cd2+ and one C4+ atom.« less
Materials Data on Fe3H16C4(SeN)4 by Materials Project

Dataset The Materials Project

Fe3C4H16(NSe)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four N3- and two equivalent Se2- atoms to form corner-sharing FeSe2N4 octahedra. There are two shorter (2.01 Å) and two longer (2.04 Å) Fe–N bond lengths. Both Fe–Se bond lengths are 2.43 Å. In the second Fe3+ site, Fe3+ is bonded to four Se2- atoms to form FeSe4 tetrahedra that share corners with two equivalent FeSe2N4 octahedra and edges with two equivalent FeSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–60°. Theremore »« less
Materials Data on ZnHgC4(SeN)4 by Materials Project

Dataset The Materials Project

HgZnC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.71 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.98 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. Se2- is bonded in a distorted L-shaped geometrymore » to one Hg2+ and one C4+ atom.« less

Similar Records