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DOE OSTI · 1751755

Materials Data on GaSiO3 by Materials Project

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Abstract

GaSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga2+ is bonded to twelve equivalent O2- atoms to form GaO12 cuboctahedra that share corners with twelve equivalent GaO12 cuboctahedra, faces with six equivalent GaO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Ga–O bond lengths are 2.53 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent GaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.79 Å. O2- is bonded in a distorted linear geometry to four equivalent Ga2+ and two equivalent Si4+ atoms.

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36 MATERIALS SCIENCEcrystal structureGa-O-SiGaSiO3

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2020-05-02. Materials Data on GaSiO3 by Materials Project. https://doi.org/10.17188/1751755

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