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DOE OSTI · 1189475

Materials Data on Dy5Si3B by Materials Project

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Abstract

Dy5BSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to two equivalent B3- and five equivalent Si4- atoms. Both Dy–B bond lengths are 2.59 Å. There are a spread of Dy–Si bond distances ranging from 2.98–3.45 Å. In the second Dy3+ site, Dy3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing DySi6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Dy–Si bond lengths are 3.06 Å. B3- is bonded to six equivalent Dy3+ atoms to form face-sharing BDy6 octahedra. Si4- is bonded in a 9-coordinate geometry to nine Dy3+ atoms.

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36 MATERIALS SCIENCEB-Dy-Sicrystal structureDy5Si3B

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2020-07-18. Materials Data on Dy5Si3B by Materials Project. https://doi.org/10.17188/1189475

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