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DOE OSTI · 1282365

Materials Data on Lu2Se3 by Materials Project

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Abstract

Lu2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.81–3.24 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.82–3.13 Å. In the third Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Lu–Se bond distances ranging from 2.83–3.20 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeLu5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Lu3+ atoms. In the third Se2- site, Se2- is bonded to five Lu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SeLu5 square pyramids.

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36 MATERIALS SCIENCEcrystal structureLu-SeLu2Se3

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2020-05-01. Materials Data on Lu2Se3 by Materials Project. https://doi.org/10.17188/1282365

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