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DOE OSTI · 1202043

Materials Data on MgTi2O4 by Materials Project

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Abstract

MgTi2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent O2- atoms to form MgO4 tetrahedra that share corners with twelve equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. All Mg–O bond lengths are 1.97 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent MgO4 tetrahedra and edges with six equivalent TiO6 octahedra. All Ti–O bond lengths are 2.07 Å. O2- is bonded to one Mg2+ and three equivalent Ti3+ atoms to form a mixture of distorted corner and edge-sharing OMgTi3 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureMg-O-TiMgTi2O4

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2020-07-16. Materials Data on MgTi2O4 by Materials Project. https://doi.org/10.17188/1202043

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