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DOE OSTI · 1720667

Materials Data on SeS7 by Materials Project

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Abstract

(SeS5)2SeS11 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SeS11 cluster and one SeS5 cluster. In the SeS11 cluster, Se6+ is bonded in a water-like geometry to two S+0.86- atoms. Both Se–S bond lengths are 2.24 Å. There are eleven inequivalent S+0.86- sites. In the first S+0.86- site, S+0.86- is bonded in a water-like geometry to one Se6+ and one S+0.86- atom. The S–S bond length is 2.06 Å. In the second S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) S–S bond lengths. In the third S+0.86- site, S+0.86- is bonded in a distorted water-like geometry to one Se6+ and one S+0.86- atom. The S–S bond length is 2.07 Å. In the fourth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) S–S bond lengths. In the fifth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) S–S bond lengths. In the sixth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) S–S bond lengths. In the seventh S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. In the eighth S+0.86- site, S+0.86- is bonded in a distorted water-like geometry to two S+0.86- atoms. In the ninth S+0.86- site, S+0.86- is bonded in a distorted water-like geometry to two S+0.86- atoms. In the tenth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. In the eleventh S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. In the SeS5 cluster, there are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a water-like geometry to two S+0.86- atoms. Both Se–S bond lengths are 2.24 Å. In the second Se6+ site, Se6+ is bonded in a water-like geometry to two S+0.86- atoms. Both Se–S bond lengths are 2.24 Å. There are ten inequivalent S+0.86- sites. In the first S+0.86- site, S+0.86- is bonded in a water-like geometry to one Se6+ and one S+0.86- atom. The S–S bond length is 2.06 Å. In the second S+0.86- site, S+0.86- is bonded in a water-like geometry to one Se6+ and one S+0.86- atom. The S–S bond length is 2.06 Å. In the third S+0.86- site, S+0.86- is bonded in a distorted water-like geometry to one Se6+ and one S+0.86- atom. The S–S bond length is 2.07 Å. In the fourth S+0.86- site, S+0.86- is bonded in a distorted water-like geometry to one Se6+ and one S+0.86- atom. The S–S bond length is 2.07 Å. In the fifth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) S–S bond lengths. In the sixth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. Both S–S bond lengths are 2.08 Å. In the seventh S+0.86- site, S+0.86- is bonded in a distorted water-like geometry to two S+0.86- atoms. In the eighth S+0.86- site, S+0.86- is bonded in a distorted water-like geometry to two S+0.86- atoms. In the ninth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms. In the tenth S+0.86- site, S+0.86- is bonded in a water-like geometry to two S+0.86- atoms.

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36 MATERIALS SCIENCEcrystal structureS-SeSeS7

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2020-04-30. Materials Data on SeS7 by Materials Project. https://doi.org/10.17188/1720667

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