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DOE OSTI · 1205237

Materials Data on YZn3 by Materials Project

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Abstract

YZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to fourteen Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.00–3.45 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Y and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.81 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Y and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–3.10 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Y and five Zn atoms.

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36 MATERIALS SCIENCEcrystal structureY-ZnYZn3

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2020-07-17. Materials Data on YZn3 by Materials Project. https://doi.org/10.17188/1205237

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