Materials Data on RbP(OF)2 by Materials Project

doi:10.17188/1270193

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

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Abstract

RbP(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two F1- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.20 Å. There are one shorter (3.07 Å) and one longer (3.31 Å) Rb–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 Rb1+ and one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-558162

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; RbP(OF)2; F-O-P-Rb

OSTI Identifier:: 1270193

DOI:: https://doi.org/10.17188/1270193

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                    The Materials Project. Materials Data on RbP(OF)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270193.

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                    The Materials Project. Materials Data on RbP(OF)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270193

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                    The Materials Project. 2020.  
"Materials Data on RbP(OF)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270193.  https://www.osti.gov/servlets/purl/1270193. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1270193,

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

  author       = {The Materials Project},

  abstractNote = {RbP(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to six equivalent O2- and two F1- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.20 Å. There are one shorter (3.07 Å) and one longer (3.31 Å) Rb–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 Rb1+ and one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one P5+ atom.},

  doi          = {10.17188/1270193},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270193

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