Materials Data on Sr3CaI8 by Materials Project

doi:10.17188/1707545

Title: Materials Data on Sr3CaI8 by Materials Project

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Abstract

Sr3CaI8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.48 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.49 Å. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ca–I bond lengths are 3.42 Å. I1- is bonded to three Sr2+ and one Ca2+ atom to form a mixture of edge and corner-sharing ISr3Ca tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1101363

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; Sr3CaI8; Ca-I-Sr

OSTI Identifier:: 1707545

DOI:: https://doi.org/10.17188/1707545

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                    The Materials Project. Materials Data on Sr3CaI8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707545.

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                    The Materials Project. Materials Data on Sr3CaI8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707545

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                    The Materials Project. 2020.  
"Materials Data on Sr3CaI8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707545.  https://www.osti.gov/servlets/purl/1707545. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1707545,

  title        = {Materials Data on Sr3CaI8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3CaI8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.48 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.49 Å. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ca–I bond lengths are 3.42 Å. I1- is bonded to three Sr2+ and one Ca2+ atom to form a mixture of edge and corner-sharing ISr3Ca tetrahedra.},

  doi          = {10.17188/1707545},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1707545

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