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DOE OSTI · 1706747

Materials Data on ErZnO3 by Materials Project

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Abstract

ErZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent O atoms to form ErO12 cuboctahedra that share corners with twelve equivalent ErO12 cuboctahedra, faces with six equivalent ErO12 cuboctahedra, and faces with eight equivalent ZnO6 octahedra. All Er–O bond lengths are 2.71 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent ErO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 1.91 Å. O is bonded in a distorted linear geometry to four equivalent Er and two equivalent Zn atoms.

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36 MATERIALS SCIENCEcrystal structureEr-O-ZnErZnO3

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2020-05-02. Materials Data on ErZnO3 by Materials Project. https://doi.org/10.17188/1706747

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