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DOE OSTI · 1685638

Materials Data on SrSn2Cl6O5 by Materials Project

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Abstract

SrSn2O5Cl6 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two SrSn2O5Cl6 ribbons oriented in the (0, 0, 1) direction. Sr is bonded in a 3-coordinate geometry to five O atoms. There are a spread of Sr–O bond distances ranging from 2.31–2.88 Å. Sn is bonded in a tetrahedral geometry to one O and three Cl atoms. The Sn–O bond length is 1.90 Å. There are a spread of Sn–Cl bond distances ranging from 2.33–2.41 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Sr and one Sn atom. In the second O site, O is bonded in a water-like geometry to one Sr and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a single-bond geometry to one Sr atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sn atom.

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36 MATERIALS SCIENCECl-O-Sn-Srcrystal structureSrSn2Cl6O5

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2020-05-01. Materials Data on SrSn2Cl6O5 by Materials Project. https://doi.org/10.17188/1685638

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