Materials Data on Rb2Cr2O5 by Materials Project

doi:10.17188/1475745

Title: Materials Data on Rb2Cr2O5 by Materials Project

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Abstract

Rb2Cr2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.40 Å. There are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.96 Å. In the second Cr4+ site, Cr4+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.66–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Cr4+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1076401

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; Rb2Cr2O5; Cr-O-Rb

OSTI Identifier:: 1475745

DOI:: https://doi.org/10.17188/1475745

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                    The Materials Project. Materials Data on Rb2Cr2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1475745.

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                    The Materials Project. Materials Data on Rb2Cr2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1475745

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                    The Materials Project. 2020.  
"Materials Data on Rb2Cr2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1475745.  https://www.osti.gov/servlets/purl/1475745. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1475745,

  title        = {Materials Data on Rb2Cr2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Cr2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.40 Å. There are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.96 Å. In the second Cr4+ site, Cr4+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.66–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Cr4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Cr4+ atoms.},

  doi          = {10.17188/1475745},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1475745

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