Materials Data on KP(OF)2 by Materials Project

doi:10.17188/1270651

Title: Materials Data on KP(OF)2 by Materials Project

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Abstract

KP(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two F1- atoms. There are a spread of K–O bond distances ranging from 2.78–3.13 Å. There are one shorter (2.87 Å) and one longer (3.18 Å) K–F bond lengths. P5+ is bonded in a tetrahedral geometry to two equivalent O2- and two F1- atoms. Both P–O bond lengths are 1.49 Å. Both P–F bond lengths are 1.60 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one K1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-559062

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; KP(OF)2; F-K-O-P

OSTI Identifier:: 1270651

DOI:: https://doi.org/10.17188/1270651

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                    The Materials Project. Materials Data on KP(OF)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270651.

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                    The Materials Project. Materials Data on KP(OF)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270651

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                    The Materials Project. 2020.  
"Materials Data on KP(OF)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270651.  https://www.osti.gov/servlets/purl/1270651. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1270651,

  title        = {Materials Data on KP(OF)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KP(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two F1- atoms. There are a spread of K–O bond distances ranging from 2.78–3.13 Å. There are one shorter (2.87 Å) and one longer (3.18 Å) K–F bond lengths. P5+ is bonded in a tetrahedral geometry to two equivalent O2- and two F1- atoms. Both P–O bond lengths are 1.49 Å. Both P–F bond lengths are 1.60 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one K1+ and one P5+ atom.},

  doi          = {10.17188/1270651},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270651

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