Materials Data on KAs(OF2)2 by Materials Project

doi:10.17188/1723890

Title: Materials Data on KAs(OF2)2 by Materials Project

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Abstract

KAs(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to four equivalent O and four F atoms. There are two shorter (2.89 Å) and two longer (3.27 Å) K–O bond lengths. There are two shorter (2.85 Å) and two longer (2.93 Å) K–F bond lengths. As is bonded in an octahedral geometry to two equivalent O and four F atoms. Both As–O bond lengths are 1.80 Å. There is two shorter (1.80 Å) and two longer (1.81 Å) As–F bond length. O is bonded in a distorted single-bond geometry to two equivalent K and one As atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one K and one As atom. In the second F site, F is bonded in a distorted single-bond geometry to one K and one As atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1223614

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; As-F-K-O; KAs(OF2)2; crystal structure

OSTI Identifier:: 1723890

DOI:: https://doi.org/10.17188/1723890

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                    Materials Data on KAs(OF2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1723890.

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                    Materials Data on KAs(OF2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1723890

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                    2020.  
"Materials Data on KAs(OF2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1723890.  https://www.osti.gov/servlets/purl/1723890. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1723890,

  title        = {Materials Data on KAs(OF2)2 by Materials Project},

  
  abstractNote = {KAs(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to four equivalent O and four F atoms. There are two shorter (2.89 Å) and two longer (3.27 Å) K–O bond lengths. There are two shorter (2.85 Å) and two longer (2.93 Å) K–F bond lengths. As is bonded in an octahedral geometry to two equivalent O and four F atoms. Both As–O bond lengths are 1.80 Å. There is two shorter (1.80 Å) and two longer (1.81 Å) As–F bond length. O is bonded in a distorted single-bond geometry to two equivalent K and one As atom. There are two inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one K and one As atom. In the second F site, F is bonded in a distorted single-bond geometry to one K and one As atom.},

  doi          = {10.17188/1723890},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1723890

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