Materials Data on OF3 by Materials Project

doi:10.17188/1314394

Title: Materials Data on OF3 by Materials Project

Dataset
Other Related Research

Abstract

OF3OFF2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules, one hypofluorous acid molecule, and one OF3 cluster. In the OF3 cluster, O is bonded in a water-like geometry to three F atoms. There are a spread of O–F bond distances ranging from 1.42–2.00 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one O atom. In the second F site, F is bonded in a single-bond geometry to one O atom. In the third F site, F is bonded in a single-bond geometry to one O atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-974002

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; OF3; F-O

OSTI Identifier:: 1314394

DOI:: https://doi.org/10.17188/1314394

Citation Formats


                    The Materials Project. Materials Data on OF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314394.

Copy to clipboard


                    The Materials Project. Materials Data on OF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314394

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on OF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314394.  https://www.osti.gov/servlets/purl/1314394. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1314394,

  title        = {Materials Data on OF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OF3OFF2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two hydrofluoric acid molecules, one hypofluorous acid molecule, and one OF3 cluster. In the OF3 cluster, O is bonded in a water-like geometry to three F atoms. There are a spread of O–F bond distances ranging from 1.42–2.00 Å. There are three inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one O atom. In the second F site, F is bonded in a single-bond geometry to one O atom. In the third F site, F is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1314394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1314394

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Rh(OF3)2 by Materials Project

Dataset The Materials Project

RhF6O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one 13693-07-7 molecule and one oxygen molecule.
Materials Data on Au(OF3)2 by Materials Project

Dataset The Materials Project

AuF6O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one oxygen molecule and one AuF6 cluster. In the AuF6 cluster, Au is bonded in an octahedral geometry to six F atoms. All Au–F bond lengths are 1.94 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Au atom. In the second F site, F is bonded in a single-bond geometry to one Au atom.
Materials Data on AgAsS6N4(OF3)2 by Materials Project

Dataset The Materials Project

AgAsN4S6(OF3)2 crystallizes in the orthorhombic Pcca space group. The structure is two-dimensional and consists of one AgAsN4S6(OF3)2 sheet oriented in the (0, 1, 0) direction. Ag1+ is bonded in a 6-coordinate geometry to two equivalent N4+, two equivalent O2-, and two equivalent F1- atoms. Both Ag–N bond lengths are 2.32 Å. Both Ag–O bond lengths are 2.57 Å. Both Ag–F bond lengths are 2.86 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. All As–F bond lengths are 1.78 Å. There are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a bentmore »« less
Materials Data on GaH15N4(OF3)2 by Materials Project

Dataset The Materials Project

GaH7(N2F3)2(H2)2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight hydrogen molecules; eight water molecules; and two GaH7(N2F3)2 ribbons oriented in the (1, 1, 0) direction. In each GaH7(N2F3)2 ribbon, Ga3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.47 Å) and two longer (2.70 Å) Ga–F bond lengths. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted single-bond geometry to one N2- atom. The N–N bond length is 1.17 Å. In the second N2- site, N2- is bonded inmore »« less
Materials Data on Pt(OF3)2 by Materials Project

Dataset The Materials Project

PtF6O2 is Tetraauricupride structured and crystallizes in the cubic Ia-3 space group. The structure is zero-dimensional and consists of eight oxygen molecules and eight PtF6 clusters. In each PtF6 cluster, Pt is bonded in an octahedral geometry to six equivalent F atoms. All Pt–F bond lengths are 1.92 Å. F is bonded in a single-bond geometry to one Pt atom.

Similar Records