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DOE OSTI · 1697569

Materials Data on CsTiO3 by Materials Project

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Abstract

CsTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Cs–O bond lengths are 2.90 Å. Ti is bonded to six equivalent O atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 2.05 Å. O is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Ti atoms.

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36 MATERIALS SCIENCEcrystal structureCs-O-TiCsTiO3

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2020-05-02. Materials Data on CsTiO3 by Materials Project. https://doi.org/10.17188/1697569

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