Materials Data on CsSrI3 by Materials Project

doi:10.17188/1317324

Title: Materials Data on CsSrI3 by Materials Project

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Abstract

CsSrI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve I1- atoms. There are a spread of Cs–I bond distances ranging from 4.45–4.71 Å. Sr2+ is bonded to six I1- atoms to form corner-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Sr–I bond distances ranging from 3.22–3.25 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-998417

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; CsSrI3; Cs-I-Sr

OSTI Identifier:: 1317324

DOI:: https://doi.org/10.17188/1317324

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                    The Materials Project. Materials Data on CsSrI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317324.

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                    The Materials Project. Materials Data on CsSrI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317324

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                    The Materials Project. 2020.  
"Materials Data on CsSrI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317324.  https://www.osti.gov/servlets/purl/1317324. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317324,

  title        = {Materials Data on CsSrI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsSrI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve I1- atoms. There are a spread of Cs–I bond distances ranging from 4.45–4.71 Å. Sr2+ is bonded to six I1- atoms to form corner-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Sr–I bond distances ranging from 3.22–3.25 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms.},

  doi          = {10.17188/1317324},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317324

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