Materials Data on RbCrCl3 by Materials Project

doi:10.17188/1274790

Title: Materials Data on RbCrCl3 by Materials Project

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Abstract

RbCrCl3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.45–3.60 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are two shorter (2.39 Å) and four longer (2.61 Å) Cr–Cl bond lengths. In the second Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are four shorter (2.42 Å) and two longer (2.75 Å) Cr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-568887

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; RbCrCl3; Cl-Cr-Rb

OSTI Identifier:: 1274790

DOI:: https://doi.org/10.17188/1274790

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                    The Materials Project. Materials Data on RbCrCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274790.

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                    The Materials Project. Materials Data on RbCrCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274790

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                    The Materials Project. 2020.  
"Materials Data on RbCrCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274790.  https://www.osti.gov/servlets/purl/1274790. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1274790,

  title        = {Materials Data on RbCrCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbCrCl3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.45–3.60 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are two shorter (2.39 Å) and four longer (2.61 Å) Cr–Cl bond lengths. In the second Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are four shorter (2.42 Å) and two longer (2.75 Å) Cr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms.},

  doi          = {10.17188/1274790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274790

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