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DOE OSTI · 1746677

Materials Data on Sr2ZnP2 by Materials Project

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Abstract

Sr2ZnP2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six P3- atoms to form a mixture of distorted edge, face, and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are three shorter (2.99 Å) and three longer (3.50 Å) Sr–P bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.45 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Sr2+ atoms to form distorted edge-sharing PSr6 pentagonal pyramids. In the second P3- site, P3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.

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36 MATERIALS SCIENCEcrystal structureP-Sr-ZnSr2ZnP2

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2020-05-03. Materials Data on Sr2ZnP2 by Materials Project. https://doi.org/10.17188/1746677

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