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Materials Data on Na3PSe4 by Materials Project

Na3PSe4 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Na3PSe4 frameworks. Na1+ is bonded in a 8-coordinate geometry to four equivalent Se2- atoms. All Na–Se bond lengths are 3.02 Å. P5+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All P–Se bond lengths are 2.25 Å. Se2- is bonded to three equivalent Na1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing SeNa3P trigonal pyramids.

36 MATERIALS SCIENCE↗