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DOE OSTI · 1315461

Materials Data on NaReO3 by Materials Project

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Abstract

NaReO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent ReO6 octahedra. All Na–O bond lengths are 2.75 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Re5+ atoms.

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36 MATERIALS SCIENCEcrystal structureNa-O-ReNaReO3

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2020-05-02. Materials Data on NaReO3 by Materials Project. https://doi.org/10.17188/1315461

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