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DOE OSTI · 1263564

Materials Data on ThZn4 by Materials Project

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Abstract

ThZn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to sixteen Zn atoms. There are eight shorter (3.27 Å) and eight longer (3.35 Å) Th–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Th and five Zn atoms. There are one shorter (2.43 Å) and four longer (2.54 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Th and eight Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnTh4Zn8 cuboctahedra. All Zn–Zn bond lengths are 3.04 Å.

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36 MATERIALS SCIENCEcrystal structureTh-ZnThZn4

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2020-07-16. Materials Data on ThZn4 by Materials Project. https://doi.org/10.17188/1263564

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