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DOE OSTI · 1287867

Materials Data on Dy2Se3 by Materials Project

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Abstract

Dy2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Dy–Se bond distances ranging from 2.96–3.48 Å. In the second Dy3+ site, Dy3+ is bonded to seven Se2- atoms to form a mixture of distorted edge and corner-sharing DySe7 pentagonal bipyramids. There are a spread of Dy–Se bond distances ranging from 2.88–2.97 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to five Dy3+ atoms. In the second Se2- site, Se2- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 square pyramids. In the third Se2- site, Se2- is bonded to five Dy3+ atoms to form a mixture of distorted edge and corner-sharing SeDy5 trigonal bipyramids.

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36 MATERIALS SCIENCEcrystal structureDy-SeDy2Se3

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2020-07-17. Materials Data on Dy2Se3 by Materials Project. https://doi.org/10.17188/1287867

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