Materials Data on RbFeSe2 by Materials Project

doi:10.17188/1282078

Title: Materials Data on RbFeSe2 by Materials Project

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Abstract

RbFeSe2 crystallizes in the monoclinic C2/c 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 equivalent FeSe4 tetrahedra, edges with six equivalent RbSe8 hexagonal bipyramids, edges with five equivalent FeSe4 tetrahedra, and faces with two equivalent RbSe8 hexagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.59–3.75 Å. Fe3+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with six equivalent RbSe8 hexagonal bipyramids, edges with five equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent FeSe4 tetrahedra. There are two shorter (2.33 Å) and two longer (2.34 Å) Fe–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Fe3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-7086

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; RbFeSe2; Fe-Rb-Se

OSTI Identifier:: 1282078

DOI:: https://doi.org/10.17188/1282078

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                    The Materials Project. Materials Data on RbFeSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282078.

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                    The Materials Project. Materials Data on RbFeSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282078

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                    The Materials Project. 2020.  
"Materials Data on RbFeSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282078.  https://www.osti.gov/servlets/purl/1282078. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1282078,

  title        = {Materials Data on RbFeSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbFeSe2 crystallizes in the monoclinic C2/c 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 equivalent FeSe4 tetrahedra, edges with six equivalent RbSe8 hexagonal bipyramids, edges with five equivalent FeSe4 tetrahedra, and faces with two equivalent RbSe8 hexagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.59–3.75 Å. Fe3+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with six equivalent RbSe8 hexagonal bipyramids, edges with five equivalent RbSe8 hexagonal bipyramids, and edges with two equivalent FeSe4 tetrahedra. There are two shorter (2.33 Å) and two longer (2.34 Å) Fe–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Fe3+ atoms.},

  doi          = {10.17188/1282078},

  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/10.17188/1282078

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