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DOE OSTI · 1202481

Materials Data on Na3AuO2 by Materials Project

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Abstract

Na3AuO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.26 Å. In the second Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.41 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. O2- is bonded to five Na1+ and one Au1+ atom to form a mixture of corner and edge-sharing ONa5Au octahedra. The corner-sharing octahedra tilt angles range from 3–19°.

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36 MATERIALS SCIENCEAu-Na-Ocrystal structureNa3AuO2

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2020-07-23. Materials Data on Na3AuO2 by Materials Project. https://doi.org/10.17188/1202481

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