Materials Data on RbCr4O8 by Materials Project

doi:10.17188/1193814

Title: Materials Data on RbCr4O8 by Materials Project

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Abstract

RbCr4O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.01 Å. There are four inequivalent Cr+3.75+ sites. In the first Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Cr–O bond distances ranging from 1.89–2.02 Å. In the second Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Cr–O bond distances ranging from 1.90–2.01 Å. In the third Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Cr–O bond distances ranging from 1.89–2.01 Å. In the fourth Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. Theremore »« less

Authors:: The Materials Project

Publication Date:: Sat Feb 15 00:00:00 EST 2014

Other Number(s):: mp-19029

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; RbCr4O8; Cr-O-Rb

OSTI Identifier:: 1193814

DOI:: https://doi.org/10.17188/1193814

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                    The Materials Project. Materials Data on RbCr4O8 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1193814.

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                    The Materials Project. Materials Data on RbCr4O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193814

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                    The Materials Project. 2014.  
"Materials Data on RbCr4O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193814.  https://www.osti.gov/servlets/purl/1193814. Pub date:Sat Feb 15 00:00:00 EST 2014

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@article{osti_1193814,

  title        = {Materials Data on RbCr4O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbCr4O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.01 Å. There are four inequivalent Cr+3.75+ sites. In the first Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Cr–O bond distances ranging from 1.89–2.02 Å. In the second Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Cr–O bond distances ranging from 1.90–2.01 Å. In the third Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Cr–O bond distances ranging from 1.89–2.01 Å. In the fourth Cr+3.75+ site, Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Cr–O bond distances ranging from 1.96–2.01 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Cr+3.75+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three Cr+3.75+ atoms.},

  doi          = {10.17188/1193814},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Feb 15 00:00:00 EST 2014},

  month        = {Sat Feb 15 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1193814

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