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DOE OSTI · 1709416

Materials Data on Y2Se3 by Materials Project

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Abstract

Y2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Y–Se bond distances ranging from 2.86–2.90 Å. In the second Y3+ site, Y3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing YSe6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are a spread of Y–Se bond distances ranging from 2.87–2.90 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Y3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Y3+ atoms.

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36 MATERIALS SCIENCEcrystal structureSe-YY2Se3

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2020-05-09. Materials Data on Y2Se3 by Materials Project. https://doi.org/10.17188/1709416

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