Materials Data on RbSrI3 by Materials Project

doi:10.17188/1716997

Title: Materials Data on RbSrI3 by Materials Project

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Abstract

RbSrI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.19 Å. Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (3.30 Å) and four longer (3.33 Å) Sr–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 Sr2+ atoms. In the second I1- site, I1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing IRb2Sr2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1205862

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; RbSrI3; I-Rb-Sr

OSTI Identifier:: 1716997

DOI:: https://doi.org/10.17188/1716997

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                    The Materials Project. Materials Data on RbSrI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716997.

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                    The Materials Project. Materials Data on RbSrI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716997

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                    The Materials Project. 2020.  
"Materials Data on RbSrI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716997.  https://www.osti.gov/servlets/purl/1716997. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1716997,

  title        = {Materials Data on RbSrI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbSrI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.19 Å. Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (3.30 Å) and four longer (3.33 Å) Sr–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 Sr2+ atoms. In the second I1- site, I1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing IRb2Sr2 tetrahedra.},

  doi          = {10.17188/1716997},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1716997

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