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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrSn2Cl6O5 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSn2Cl6O5 by Materials Project

SrSn2O5Cl6 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two SrSn2O5Cl6 ribbons oriented in the (1, 0, 1) direction. Sr is bonded to five O atoms to form distorted SrO5 trigonal bipyramids that share corners with two equivalent SnCl3O tetrahedra. There are a spread of Sr–O bond distances ranging from 2.32–2.91 Å. Sn is bonded to one O and three Cl atoms to form SnCl3O tetrahedra that share a cornercorner with one SrO5 trigonal bipyramid. The Sn–O bond length is 1.90 Å. There are a spread of Sn–Cl bond distances ranging from 2.35–2.40 Å. There are three inequivalent O sites. In the first O site, O is bonded in a linear 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.

36 MATERIALS SCIENCE↗