Materials Data on Ga(CuN)3 by Materials Project

doi:10.17188/1739017

Title: Materials Data on Ga(CuN)3 by Materials Project

Dataset
Other Related Research

Abstract

Ga(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.07 Å. Ga3+ is bonded to six equivalent N3- atoms to form corner-sharing GaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–N bond lengths are 2.07 Å. N3- is bonded to four equivalent Cu2+ and two equivalent Ga3+ atoms to form a mixture of edge and corner-sharing NGa2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-05-04

Other Number(s):: mp-1232314

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; Cu-Ga-N; Ga(CuN)3; crystal structure

OSTI Identifier:: 1739017

DOI:: https://doi.org/10.17188/1739017

Citation Formats


                    Materials Data on Ga(CuN)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739017.

Copy to clipboard


                    Materials Data on Ga(CuN)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739017

Copy to clipboard


                    2020.  
"Materials Data on Ga(CuN)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739017.  https://www.osti.gov/servlets/purl/1739017. Pub date:Mon May 04 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1739017,

  title        = {Materials Data on Ga(CuN)3 by Materials Project},

  
  abstractNote = {Ga(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.07 Å. Ga3+ is bonded to six equivalent N3- atoms to form corner-sharing GaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–N bond lengths are 2.07 Å. N3- is bonded to four equivalent Cu2+ and two equivalent Ga3+ atoms to form a mixture of edge and corner-sharing NGa2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1739017},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1739017

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on In(CuN)3 by Materials Project

Dataset

In(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.17 Å. In3+ is bonded to six equivalent N3- atoms to form corner-sharing InN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–N bond lengths are 2.17 Å. N3- is bonded to four equivalent Cu2+ and two equivalent In3+ atoms to form a mixture of corner and edge-sharing NIn2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on Al(CuN)3 by Materials Project

Dataset

Al(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.04 Å. Al3+ is bonded to six equivalent N3- atoms to form corner-sharing AlN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–N bond lengths are 2.04 Å. N3- is bonded to four equivalent Cu2+ and two equivalent Al3+ atoms to form a mixture of edge and corner-sharing NAl2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on Sc(CuN)3 by Materials Project

Dataset

Sc(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent N3- atoms to form corner-sharing ScN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–N bond lengths are 2.13 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.13 Å. N3- is bonded to two equivalent Sc3+ and four equivalent Cu2+ atoms to form a mixture of corner and edge-sharing NSc2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on Mg(CuN)3 by Materials Project

Dataset

Mg(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form corner-sharing MgN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–N bond lengths are 2.07 Å. Cu+2.33+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.07 Å. N3- is bonded to two equivalent Mg2+ and four equivalent Cu+2.33+ atoms to form a mixture of corner and edge-sharing NMg2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.
Materials Data on Li(CuN)3 by Materials Project

Dataset

Li(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent N3- atoms to form corner-sharing LiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–N bond lengths are 2.02 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. N3- is bonded to two equivalent Li1+ and four equivalent Cu+2.67+ atoms to form a mixture of edge and corner-sharing NLi2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Similar Records