Materials Data on BaZrP2 by Materials Project
BaZrP2 is Tungsten Carbide-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent P3- atoms to form distorted edge-sharing BaP6 octahedra. All Ba–P bond lengths are 3.25 Å. Zr4+ is bonded in a 6-coordinate geometry to six equivalent P3- atoms. All Zr–P bond lengths are 2.74 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Ba2+ and three equivalent Zr4+ atoms.
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