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DOE OSTI · 1652389

Materials Data on TmZn12 by Materials Project

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Abstract

TmZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.08–3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnTm2Zn10 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 Tm and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Tm and nine Zn atoms. The Zn–Zn bond length is 2.58 Å.

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36 MATERIALS SCIENCEcrystal structureTm-ZnTmZn12

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2020-07-16. Materials Data on TmZn12 by Materials Project. https://doi.org/10.17188/1652389

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