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DOE OSTI · 1206331

Materials Data on Sr3P2 by Materials Project

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Abstract

Sr3P2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five P3- atoms to form a mixture of distorted edge, corner, and face-sharing SrP5 trigonal bipyramids. There are a spread of Sr–P bond distances ranging from 2.98–3.45 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Sr–P bond distances ranging from 3.00–3.50 Å. In the third Sr2+ site, Sr2+ is bonded to five P3- atoms to form a mixture of distorted edge, corner, and face-sharing SrP5 trigonal bipyramids. There are a spread of Sr–P bond distances ranging from 3.04–3.43 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to eight Sr2+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight Sr2+ atoms. In the third P3- site, P3- is bonded in a 7-coordinate geometry to seven Sr2+ atoms.

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36 MATERIALS SCIENCEcrystal structureP-SrSr3P2

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2020-04-29. Materials Data on Sr3P2 by Materials Project. https://doi.org/10.17188/1206331

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