Materials Data on AsN(OF3)2 by Materials Project

doi:10.17188/1277701

Title: Materials Data on AsN(OF3)2 by Materials Project

Dataset
Other Related Research

Abstract

NO2AsF6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.77 Å) and two longer (1.78 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-611316

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; AsN(OF3)2; As-F-N-O

OSTI Identifier:: 1277701

DOI:: https://doi.org/10.17188/1277701

Citation Formats


                    The Materials Project. Materials Data on AsN(OF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277701.

Copy to clipboard


                    The Materials Project. Materials Data on AsN(OF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277701

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on AsN(OF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277701.  https://www.osti.gov/servlets/purl/1277701. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1277701,

  title        = {Materials Data on AsN(OF3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NO2AsF6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.77 Å) and two longer (1.78 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},

  doi          = {10.17188/1277701},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1277701

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on AsN(OF3)2 by Materials Project

Dataset The Materials Project

NO2AsF6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.77 Å) and four longer (1.78 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
Materials Data on AsN(OF3)2 by Materials Project

Dataset The Materials Project

NO2AsF6 is Tetraauricupride structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydroxylamine, n-hydroxy- molecule and one AsF6 cluster. In the AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.77 Å) and two longer (1.78 Å) As–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
Materials Data on LiV3(OF3)2 (SG:2) 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 V3(OF3)2 (SG:2) 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 LiMn3(OF3)2 (SG:2) 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