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DOE OSTI · 1682110

Materials Data on TlGaO3 by Materials Project

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Abstract

TlGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tl3+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent GaO6 octahedra. All Tl–O bond lengths are 2.76 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Tl3+ and two equivalent Ga3+ atoms.

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36 MATERIALS SCIENCEcrystal structureGa-O-TlTlGaO3

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2020-05-02. Materials Data on TlGaO3 by Materials Project. https://doi.org/10.17188/1682110

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