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DOE OSTI · 1654239

Materials Data on YSc(BO3)2 by Materials Project

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Abstract

YSc(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Y–O bond lengths are 2.32 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Sc–O bond lengths are 2.14 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. O2- is bonded in a distorted trigonal planar geometry to one Y3+, one Sc3+, and one B3+ atom.

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36 MATERIALS SCIENCEB-O-Sc-Ycrystal structureYSc(BO3)2

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2020-07-23. Materials Data on YSc(BO3)2 by Materials Project. https://doi.org/10.17188/1654239

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36 MATERIALS SCIENCE↗