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DOE OSTI · 1758692

Materials Data on Dy(Mo3Se4)2 by Materials Project

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Abstract

Dy(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.81 Å) and six longer (3.11 Å) Dy–Se bond lengths. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Dy3+ and three equivalent Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Dy3+ and four equivalent Mo+2.17+ atoms.

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36 MATERIALS SCIENCEcrystal structureDy(Mo3Se4)2Dy-Mo-Se

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2020-09-03. Materials Data on Dy(Mo3Se4)2 by Materials Project. https://doi.org/10.17188/1758692

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DOE OSTI2026

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