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DOE OSTI · 1315516

Materials Data on NpTiO3 by Materials Project

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Abstract

NpTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Np–O bond lengths are 2.77 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Np3+ and two equivalent Ti3+ atoms.

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36 MATERIALS SCIENCEcrystal structureNp-O-TiNpTiO3

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2020-07-23. Materials Data on NpTiO3 by Materials Project. https://doi.org/10.17188/1315516

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