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DOE OSTI · 1728094

Materials Data on HoZn12 by Materials Project

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Abstract

HoZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Ho–Zn bond distances ranging from 3.08–3.38 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Ho and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnHo2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.72 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Ho and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.71–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Ho and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.

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36 MATERIALS SCIENCEcrystal structureHo-ZnHoZn12

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2020-05-02. Materials Data on HoZn12 by Materials Project. https://doi.org/10.17188/1728094

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