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DOE OSTI · 1753389

Materials Data on Lu2Se3 by Materials Project

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Abstract

Lu2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Lu–Se bond distances ranging from 2.81–2.84 Å. In the second Lu3+ site, Lu3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are a spread of Lu–Se bond distances ranging from 2.81–2.83 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms.

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36 MATERIALS SCIENCEcrystal structureLu-SeLu2Se3

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2020-05-03. Materials Data on Lu2Se3 by Materials Project. https://doi.org/10.17188/1753389

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