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DOE OSTI · 1309148

Materials Data on Na3AlAs2 by Materials Project

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Abstract

Na3AlAs2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are a spread of Na–As bond distances ranging from 2.94–3.34 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. All Na–As bond lengths are 2.97 Å. Al3+ is bonded to four equivalent As3- atoms to form edge-sharing AlAs4 tetrahedra. All Al–As bond lengths are 2.54 Å. As3- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Al3+ atoms.

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36 MATERIALS SCIENCEAl-As-Nacrystal structureNa3AlAs2

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2020-07-15. Materials Data on Na3AlAs2 by Materials Project. https://doi.org/10.17188/1309148

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