Materials Data on RbVI3 by Materials Project

doi:10.17188/1281857

Title: Materials Data on RbVI3 by Materials Project

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Abstract

RbVI3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.99–4.10 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) V–I bond lengths. In the second V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.84 Å) and three longer (2.86 Å) V–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-672346

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; RbVI3; I-Rb-V

OSTI Identifier:: 1281857

DOI:: https://doi.org/10.17188/1281857

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                    The Materials Project. Materials Data on RbVI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281857.

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                    The Materials Project. Materials Data on RbVI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281857

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                    The Materials Project. 2020.  
"Materials Data on RbVI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281857.  https://www.osti.gov/servlets/purl/1281857. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1281857,

  title        = {Materials Data on RbVI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbVI3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.99–4.10 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) V–I bond lengths. In the second V2+ site, V2+ is bonded to six equivalent I1- atoms to form face-sharing VI6 octahedra. There are three shorter (2.84 Å) and three longer (2.86 Å) V–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent V2+ atoms.},

  doi          = {10.17188/1281857},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281857

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