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DOE OSTI · 1315507

Materials Data on NaTiO3 by Materials Project

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Abstract

NaTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent O atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Na–O bond lengths are 2.76 Å. Ti is bonded to six equivalent O atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.95 Å. O is bonded in a distorted linear geometry to four equivalent Na and two equivalent Ti atoms.

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36 MATERIALS SCIENCEcrystal structureNa-O-TiNaTiO3

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2020-07-23. Materials Data on NaTiO3 by Materials Project. https://doi.org/10.17188/1315507

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