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DOE OSTI · 1349461

Materials Data on ZrCdO3 by Materials Project

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Abstract

CdZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.08 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. All Cd–O bond lengths are 2.94 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Cd2+ atoms.

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36 MATERIALS SCIENCECd-O-Zrcrystal structureZrCdO3

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2020-07-18. Materials Data on ZrCdO3 by Materials Project. https://doi.org/10.17188/1349461

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