Materials Data on RbP(HO)2 by Materials Project

doi:10.17188/1199979

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

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Abstract

RbP(HO)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.11 Å. P5+ is bonded in a distorted tetrahedral geometry to two H1- and two equivalent O2- atoms. Both P–H bond lengths are 1.43 Å. Both P–O bond lengths are 1.52 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-24212

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(HO)2; H-O-P-Rb

OSTI Identifier:: 1199979

DOI:: https://doi.org/10.17188/1199979

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                    The Materials Project. Materials Data on RbP(HO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199979.

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                    The Materials Project. Materials Data on RbP(HO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199979

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                    The Materials Project. 2020.  
"Materials Data on RbP(HO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199979.  https://www.osti.gov/servlets/purl/1199979. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199979,

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

  author       = {The Materials Project},

  abstractNote = {RbP(HO)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.11 Å. P5+ is bonded in a distorted tetrahedral geometry to two H1- and two equivalent O2- atoms. Both P–H bond lengths are 1.43 Å. Both P–O bond lengths are 1.52 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one P5+ atom.},

  doi          = {10.17188/1199979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199979

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