Materials Data on RbCoO2 by Materials Project

doi:10.17188/1285801

Title: Materials Data on RbCoO2 by Materials Project

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Abstract

RbCoO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.43 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.20 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.81–1.96 Å. In the second Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.79–1.95 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and twomore »« less

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-704992

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; RbCoO2; Co-O-Rb

OSTI Identifier:: 1285801

DOI:: https://doi.org/10.17188/1285801

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                    The Materials Project. Materials Data on RbCoO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285801.

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                    The Materials Project. Materials Data on RbCoO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285801

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                    The Materials Project. 2020.  
"Materials Data on RbCoO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285801.  https://www.osti.gov/servlets/purl/1285801. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1285801,

  title        = {Materials Data on RbCoO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbCoO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.43 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.20 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.81–1.96 Å. In the second Co3+ site, Co3+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.79–1.95 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Co3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Co3+ atoms.},

  doi          = {10.17188/1285801},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1285801

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