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DOE OSTI · 1275085

Materials Data on La3ScBi5 by Materials Project

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Abstract

La3ScBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.33–3.53 Å. Sc is bonded to six equivalent Bi atoms to form face-sharing ScBi6 octahedra. All Sc–Bi bond lengths are 3.05 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent La and two equivalent Sc atoms to form a mixture of distorted edge, corner, and face-sharing BiLa5Sc2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.31 Å.

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36 MATERIALS SCIENCEBi-La-Sccrystal structureLa3ScBi5

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2020-07-15. Materials Data on La3ScBi5 by Materials Project. https://doi.org/10.17188/1275085

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36 MATERIALS SCIENCE↗