Materials Data on RbVCl3 by Materials Project

doi:10.17188/1199426

Title: Materials Data on RbVCl3 by Materials Project

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Abstract

RbVCl3 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 VCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, and faces with six equivalent VCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.58 Å) and six longer (3.81 Å) Rb–Cl bond lengths. V2+ is bonded to six equivalent Cl1- atoms to form VCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent VCl6 octahedra. All V–Cl bond lengths are 2.49 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-23319

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; RbVCl3; Cl-Rb-V

OSTI Identifier:: 1199426

DOI:: https://doi.org/10.17188/1199426

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                    The Materials Project. Materials Data on RbVCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199426.

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                    The Materials Project. Materials Data on RbVCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199426

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                    The Materials Project. 2020.  
"Materials Data on RbVCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199426.  https://www.osti.gov/servlets/purl/1199426. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199426,

  title        = {Materials Data on RbVCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbVCl3 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 VCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, and faces with six equivalent VCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.58 Å) and six longer (3.81 Å) Rb–Cl bond lengths. V2+ is bonded to six equivalent Cl1- atoms to form VCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent VCl6 octahedra. All V–Cl bond lengths are 2.49 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms.},

  doi          = {10.17188/1199426},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199426

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