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DOE OSTI · 1283440

Materials Data on Er2O3 by Materials Project

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Abstract

Er2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Er–O bond distances ranging from 2.24–2.32 Å. In the second Er3+ site, Er3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Er–O bond lengths are 2.27 Å. O2- is bonded to four Er3+ atoms to form a mixture of distorted edge and corner-sharing OEr4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureEr-OEr2O3

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2020-07-23. Materials Data on Er2O3 by Materials Project. https://doi.org/10.17188/1283440

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