Materials Data on Na3PS4 by Materials Project
Na3PS4 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Na3PS4 frameworks. Na1+ is bonded in a 8-coordinate geometry to four equivalent S2- atoms. All Na–S bond lengths are 2.87 Å. P5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All P–S bond lengths are 2.07 Å. S2- is bonded to three equivalent Na1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing SNa3P trigonal pyramids.
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