Materials Data on Ba2BrN by Materials Project

doi:10.17188/1350200

Title: Materials Data on Ba2BrN by Materials Project

Dataset
Other Related Research

Abstract

Ba2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to three equivalent N3- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing BaBr3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.84 Å. All Ba–Br bond lengths are 3.49 Å. N3- is bonded to six equivalent Ba2+ atoms to form edge-sharing NBa6 octahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Ba2+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-1018098

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; Ba-Br-N; Ba2BrN; crystal structure

OSTI Identifier:: 1350200

DOI:: https://doi.org/10.17188/1350200

Citation Formats


                    Materials Data on Ba2BrN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350200.

Copy to clipboard


                    Materials Data on Ba2BrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1350200

Copy to clipboard


                    2020.  
"Materials Data on Ba2BrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1350200.  https://www.osti.gov/servlets/purl/1350200. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1350200,

  title        = {Materials Data on Ba2BrN by Materials Project},

  
  abstractNote = {Ba2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to three equivalent N3- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing BaBr3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.84 Å. All Ba–Br bond lengths are 3.49 Å. N3- is bonded to six equivalent Ba2+ atoms to form edge-sharing NBa6 octahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Ba2+ atoms.},

  doi          = {10.17188/1350200},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1350200

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.
Materials Data on Be by Materials Project

Dataset

Be is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Be atoms. All Be–Be bond lengths are 2.17 Å.
Materials Data on NO by Materials Project

Dataset

NO is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules. N is bonded in a single-bond geometry to one O atom. The N–O bond length is 1.17 Å. O is bonded in a single-bond geometry to one N atom.

Similar Records