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DOE OSTI · 1280881

Materials Data on Th6FeBr15 by Materials Project

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Abstract

Th6FeBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6FeBr15 frameworks. Th is bonded to one Fe and five Br atoms to form a mixture of edge and corner-sharing ThFeBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Fe bond length is 2.77 Å. There are four shorter (2.94 Å) and one longer (3.05 Å) Th–Br bond lengths. Fe is bonded in an octahedral geometry to six equivalent Th atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two equivalent Th atoms. In the second Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms.

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36 MATERIALS SCIENCEBr-Fe-Thcrystal structureTh6FeBr15

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2020-07-23. Materials Data on Th6FeBr15 by Materials Project. https://doi.org/10.17188/1280881

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