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DOE OSTI · 1349470

Materials Data on MgTiO3 by Materials Project

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Abstract

MgTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Mg–O bond lengths are 2.72 Å. 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 MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti4+ atoms.

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36 MATERIALS SCIENCEcrystal structureMg-O-TiMgTiO3

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2020-05-03. Materials Data on MgTiO3 by Materials Project. https://doi.org/10.17188/1349470

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