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DOE OSTI · 1288715

Materials Data on NaTi2O4 by Materials Project

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Abstract

NaTi2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with twelve equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Na–O bond lengths are 2.16 Å. Ti+3.50+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent NaO4 tetrahedra and edges with six equivalent TiO6 octahedra. All Ti–O bond lengths are 2.03 Å. O2- is bonded to one Na1+ and three equivalent Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONaTi3 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureNa-O-TiNaTi2O4

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2020-07-22. Materials Data on NaTi2O4 by Materials Project. https://doi.org/10.17188/1288715

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