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DOE OSTI · 1753016

Materials Data on DyZn12 by Materials Project

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Abstract

DyZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.18–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Dy and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnDy2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.57–2.74 Å. In the second Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Dy and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.74–2.86 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Dy and nine Zn atoms. The Zn–Zn bond length is 2.54 Å.

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36 MATERIALS SCIENCEcrystal structureDy-ZnDyZn12

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2020-05-02. Materials Data on DyZn12 by Materials Project. https://doi.org/10.17188/1753016

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