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DOE OSTI · 1188305

Materials Data on K4ZnP2 by Materials Project

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Abstract

K4ZnP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing KP4 tetrahedra. There are one shorter (3.27 Å) and three longer (3.44 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.38 Å. Zn2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Zn–P bond lengths are 2.23 Å. P3- is bonded in a distorted body-centered cubic geometry to seven K1+ and one Zn2+ atom.

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36 MATERIALS SCIENCEcrystal structureK-P-ZnK4ZnP2

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2020-07-16. Materials Data on K4ZnP2 by Materials Project. https://doi.org/10.17188/1188305

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