Materials Data on RbCoCl3 by Materials Project

doi:10.17188/1201904

Title: Materials Data on RbCoCl3 by Materials Project

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Abstract

RbCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.58 Å) and six longer (3.68 Å) Rb–Cl bond lengths. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-27707

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; RbCoCl3; Cl-Co-Rb

OSTI Identifier:: 1201904

DOI:: https://doi.org/10.17188/1201904

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                    The Materials Project. Materials Data on RbCoCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201904.

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                    The Materials Project. Materials Data on RbCoCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201904

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                    The Materials Project. 2020.  
"Materials Data on RbCoCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201904.  https://www.osti.gov/servlets/purl/1201904. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1201904,

  title        = {Materials Data on RbCoCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbCoCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with six equivalent CoCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, and faces with six equivalent CoCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.58 Å) and six longer (3.68 Å) Rb–Cl bond lengths. Co2+ is bonded to six equivalent Cl1- atoms to form CoCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent CoCl6 octahedra. All Co–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Co2+ atoms.},

  doi          = {10.17188/1201904},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201904

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