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DOE OSTI · 1190571

Materials Data on YbBO3 by Materials Project

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Abstract

YbBO3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.48 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one B3+ atom.

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36 MATERIALS SCIENCEB-O-Ybcrystal structureYbBO3

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2020-07-23. Materials Data on YbBO3 by Materials Project. https://doi.org/10.17188/1190571

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