Materials Data on Rb4C2O9 by Materials Project

doi:10.17188/1745153

Title: Materials Data on Rb4C2O9 by Materials Project

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Abstract

Rb4C2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.13 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.00 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.45 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.28 Å) and one longer (1.34 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Rb and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded to five Rb and two equivalent O atoms to form distorted edge-sharing ORb5O2 pentagonal bipyramids. Both O–O bond lengths are 1.90 Å. In the third O site, O is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1209669

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; Rb4C2O9; C-O-Rb

OSTI Identifier:: 1745153

DOI:: https://doi.org/10.17188/1745153

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                    The Materials Project. Materials Data on Rb4C2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745153.

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                    The Materials Project. Materials Data on Rb4C2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745153

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                    The Materials Project. 2020.  
"Materials Data on Rb4C2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745153.  https://www.osti.gov/servlets/purl/1745153. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1745153,

  title        = {Materials Data on Rb4C2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb4C2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.13 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.00 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.45 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.28 Å) and one longer (1.34 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Rb and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded to five Rb and two equivalent O atoms to form distorted edge-sharing ORb5O2 pentagonal bipyramids. Both O–O bond lengths are 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to four Rb and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent Rb, one C, and one O atom.},

  doi          = {10.17188/1745153},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745153

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