Materials Data on RbVSe2 by Materials Project

doi:10.17188/1188527

Title: Materials Data on RbVSe2 by Materials Project

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Abstract

RbVSe2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Rb1+ is bonded to eight equivalent Se2- atoms to form distorted RbSe8 hexagonal bipyramids that share corners with four equivalent RbSe8 hexagonal bipyramids, corners with six VSe4 tetrahedra, edges with six equivalent RbSe8 hexagonal bipyramids, edges with five VSe4 tetrahedra, and faces with two equivalent RbSe8 hexagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.64–3.83 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent RbSe8 hexagonal bipyramids, edges with six equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent VSe4 tetrahedra. All V–Se bond lengths are 2.38 Å. In the second V3+ site, V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with eight equivalent RbSe8 hexagonal bipyramids, edges with four equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent VSe4 tetrahedra. All V–Se bond lengths are 2.38 Å. Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two V3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-12024

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; RbVSe2; Rb-Se-V

OSTI Identifier:: 1188527

DOI:: https://doi.org/10.17188/1188527

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                    The Materials Project. Materials Data on RbVSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188527.

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                    The Materials Project. Materials Data on RbVSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188527

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                    The Materials Project. 2020.  
"Materials Data on RbVSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188527.  https://www.osti.gov/servlets/purl/1188527. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1188527,

  title        = {Materials Data on RbVSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbVSe2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Rb1+ is bonded to eight equivalent Se2- atoms to form distorted RbSe8 hexagonal bipyramids that share corners with four equivalent RbSe8 hexagonal bipyramids, corners with six VSe4 tetrahedra, edges with six equivalent RbSe8 hexagonal bipyramids, edges with five VSe4 tetrahedra, and faces with two equivalent RbSe8 hexagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.64–3.83 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent RbSe8 hexagonal bipyramids, edges with six equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent VSe4 tetrahedra. All V–Se bond lengths are 2.38 Å. In the second V3+ site, V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with eight equivalent RbSe8 hexagonal bipyramids, edges with four equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent VSe4 tetrahedra. All V–Se bond lengths are 2.38 Å. Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two V3+ atoms.},

  doi          = {10.17188/1188527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188527

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