Materials Data on RbVBr3 by Materials Project

doi:10.17188/1275517

Title: Materials Data on RbVBr3 by Materials Project

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Abstract

RbVBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six equivalent VBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six equivalent VBr6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.78 Å) and six longer (3.97 Å) Rb–Br bond lengths. V2+ is bonded to six equivalent Br1- atoms to form VBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent VBr6 octahedra. All V–Br bond lengths are 2.65 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-570099

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; RbVBr3; Br-Rb-V

OSTI Identifier:: 1275517

DOI:: https://doi.org/10.17188/1275517

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                    The Materials Project. Materials Data on RbVBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275517.

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                    The Materials Project. Materials Data on RbVBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275517

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                    The Materials Project. 2020.  
"Materials Data on RbVBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275517.  https://www.osti.gov/servlets/purl/1275517. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275517,

  title        = {Materials Data on RbVBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbVBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six equivalent VBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six equivalent VBr6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.78 Å) and six longer (3.97 Å) Rb–Br bond lengths. V2+ is bonded to six equivalent Br1- atoms to form VBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent VBr6 octahedra. All V–Br bond lengths are 2.65 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent V2+ atoms.},

  doi          = {10.17188/1275517},

  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/10.17188/1275517

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