Materials Data on Rb3IO5 by Materials Project

doi:10.17188/1662306

Title: Materials Data on Rb3IO5 by Materials Project

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Abstract

Rb3O5I crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded to five O atoms to form RbO5 square pyramids that share corners with five equivalent IO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.70–2.87 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.48 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.50 Å. There are three inequivalent O sites. In the first O site, O is bonded to five Rb and one I atom to form distorted edge-sharing ORb5I octahedra. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. In the third O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. I ismore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1203699

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; Rb3IO5; I-O-Rb

OSTI Identifier:: 1662306

DOI:: https://doi.org/10.17188/1662306

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                    The Materials Project. Materials Data on Rb3IO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662306.

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                    The Materials Project. Materials Data on Rb3IO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662306

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                    The Materials Project. 2020.  
"Materials Data on Rb3IO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662306.  https://www.osti.gov/servlets/purl/1662306. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1662306,

  title        = {Materials Data on Rb3IO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3O5I crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded to five O atoms to form RbO5 square pyramids that share corners with five equivalent IO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.70–2.87 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.48 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.50 Å. There are three inequivalent O sites. In the first O site, O is bonded to five Rb and one I atom to form distorted edge-sharing ORb5I octahedra. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. In the third O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. I is bonded to five O atoms to form IO5 trigonal bipyramids that share corners with five equivalent RbO5 square pyramids.},

  doi          = {10.17188/1662306},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1662306

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