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DOE OSTI · 1349458

Materials Data on TiCdO3 by Materials Project

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Abstract

CdTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.94 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 TiO6 octahedra. All Cd–O bond lengths are 2.75 Å. O2- is bonded in a distorted linear geometry to two equivalent Ti4+ and four equivalent Cd2+ atoms.

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36 MATERIALS SCIENCECd-O-Ticrystal structureTiCdO3

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2020-07-24. Materials Data on TiCdO3 by Materials Project. https://doi.org/10.17188/1349458

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