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DOE OSTI · 1316726

Materials Data on Na3BrO by Materials Project

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Abstract

Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Na–O bond lengths are 2.30 Å. All Na–Br bond lengths are 3.25 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent BrNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Na1+ atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent BrNa12 cuboctahedra, faces with six equivalent BrNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.

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36 MATERIALS SCIENCEBr-Na-Ocrystal structureNa3BrO

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2020-07-23. Materials Data on Na3BrO by Materials Project. https://doi.org/10.17188/1316726

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