Materials Data on SeOF2 by Materials Project

doi:10.17188/1201584

Title: Materials Data on SeOF2 by Materials Project

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Abstract

SeOF2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four SeOF2 clusters. Se4+ is bonded in a distorted trigonal non-coplanar geometry to one O2- and two F1- atoms. The Se–O bond length is 1.63 Å. There is one shorter (1.77 Å) and one longer (1.79 Å) Se–F bond length. O2- is bonded in a single-bond geometry to one Se4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-27367

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; SeOF2; F-O-Se

OSTI Identifier:: 1201584

DOI:: https://doi.org/10.17188/1201584

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                    The Materials Project. Materials Data on SeOF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201584.

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                    The Materials Project. Materials Data on SeOF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201584

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                    The Materials Project. 2020.  
"Materials Data on SeOF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201584.  https://www.osti.gov/servlets/purl/1201584. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1201584,

  title        = {Materials Data on SeOF2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SeOF2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four SeOF2 clusters. Se4+ is bonded in a distorted trigonal non-coplanar geometry to one O2- and two F1- atoms. The Se–O bond length is 1.63 Å. There is one shorter (1.77 Å) and one longer (1.79 Å) Se–F bond length. O2- is bonded in a single-bond geometry to one Se4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom.},

  doi          = {10.17188/1201584},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

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

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

}

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DOI: https://doi.org/10.17188/1201584

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