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DOE OSTI · 1710688

Materials Data on ErSc(BO3)2 by Materials Project

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Abstract

ErSc(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Er3+ is bonded to six equivalent O2- atoms to form ErO6 octahedra that share corners with six equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Er–O bond lengths are 2.29 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent ErO6 octahedra. The corner-sharing octahedral tilt angles are 57°. 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 Er3+, one Sc3+, and one B3+ atom.

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36 MATERIALS SCIENCEB-Er-O-Sccrystal structureErSc(BO3)2

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2020-05-02. Materials Data on ErSc(BO3)2 by Materials Project. https://doi.org/10.17188/1710688

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36 MATERIALS SCIENCE↗