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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Si2H2S3 by Materials Project

Si2H2S3 is Indium structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two 2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilaadamantane molecules. Si4+ is bonded to one H1- and three S2- atoms to form corner-sharing SiHS3 tetrahedra. The Si–H bond length is 1.48 Å. All Si–S bond lengths are 2.15 Å. H1- is bonded in a single-bond geometry to one Si4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Si4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2H6S by Materials Project

Si2H6S crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of eight disilathiane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one S2- atom to form corner-sharing SiH3S tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–S bond length is 2.16 Å. In the second Si site, Si is bonded to three H+0.33+ and one S2- atom to form corner-sharing SiH3S tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–S bond length is 2.16 Å. There are six inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the sixth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. S2- is bonded in a water-like geometry to two Si atoms.

36 MATERIALS SCIENCE↗