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DOE OSTI · 1728291

Materials Data on SrUI6 by Materials Project

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Abstract

SrUI6 is Chromium trichloride-derived structured and crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two SrUI6 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded to six I1- atoms to form SrI6 octahedra that share edges with three equivalent UI6 octahedra. There are a spread of Sr–I bond distances ranging from 3.30–3.34 Å. U4+ is bonded to six I1- atoms to form UI6 octahedra that share edges with three equivalent SrI6 octahedra. There are a spread of U–I bond distances ranging from 3.03–3.05 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to one Sr2+ and one U4+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to one Sr2+ and one U4+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to one Sr2+ and one U4+ atom. In the fourth I1- site, I1- is bonded in an L-shaped geometry to one Sr2+ and one U4+ atom. In the fifth I1- site, I1- is bonded in an L-shaped geometry to one Sr2+ and one U4+ atom. In the sixth I1- site, I1- is bonded in an L-shaped geometry to one Sr2+ and one U4+ atom.

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36 MATERIALS SCIENCEcrystal structureI-Sr-USrUI6

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2020-05-02. Materials Data on SrUI6 by Materials Project. https://doi.org/10.17188/1728291

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36 MATERIALS SCIENCE↗