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DOE OSTI · 1683419

Materials Data on GdZrO3 by Materials Project

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Abstract

GdZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd3+ is bonded to twelve equivalent O2- atoms to form GdO12 cuboctahedra that share corners with twelve equivalent GdO12 cuboctahedra, faces with six equivalent GdO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. All Gd–O bond lengths are 2.94 Å. Zr3+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent GdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.08 Å. O2- is bonded in a distorted linear geometry to four equivalent Gd3+ and two equivalent Zr3+ atoms.

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36 MATERIALS SCIENCEcrystal structureGd-O-ZrGdZrO3

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2020-05-03. Materials Data on GdZrO3 by Materials Project. https://doi.org/10.17188/1683419

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