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DOE OSTI · 1204708

Materials Data on La2I5 by Materials Project

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Abstract

La2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one La2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent La+2.50+ sites. In the first La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form a mixture of distorted edge and face-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.26–3.42 Å. In the second La+2.50+ site, La+2.50+ is bonded to seven I1- atoms to form distorted edge-sharing LaI7 pentagonal bipyramids. There are a spread of La–I bond distances ranging from 3.21–3.45 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent La+2.50+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the fourth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms. In the fifth I1- site, I1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms.

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36 MATERIALS SCIENCEcrystal structureI-LaLa2I5

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2020-07-15. Materials Data on La2I5 by Materials Project. https://doi.org/10.17188/1204708

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36 MATERIALS SCIENCE↗