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Title: Materials Data on Si2H6S by Materials Project

Abstract

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-likemore » geometry to two Si atoms.« less

Publication Date:
Other Number(s):
mp-29309
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si2H6S; H-S-Si
OSTI Identifier:
1203675
DOI:
10.17188/1203675

Citation Formats

The Materials Project. Materials Data on Si2H6S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203675.
The Materials Project. Materials Data on Si2H6S by Materials Project. United States. doi:10.17188/1203675.
The Materials Project. 2020. "Materials Data on Si2H6S by Materials Project". United States. doi:10.17188/1203675. https://www.osti.gov/servlets/purl/1203675. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1203675,
title = {Materials Data on Si2H6S by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203675},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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