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DOE OSTI · 1290451

Materials Data on Ba3SrI8 by Materials Project

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Abstract

Ba3SrI8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.62 Å. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ba–I bond lengths are 3.62 Å. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Sr–I bond lengths are 3.53 Å. I1- is bonded to three Ba2+ and one Sr2+ atom to form a mixture of edge and corner-sharing IBa3Sr tetrahedra.

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36 MATERIALS SCIENCEBa-I-SrBa3SrI8crystal structure

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2020-05-02. Materials Data on Ba3SrI8 by Materials Project. https://doi.org/10.17188/1290451

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