DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SiH17S3N5 by Materials Project

Abstract

SiNH3S3(NH4)2(NH3)2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four ammonium molecules, and two SiNH3S3 clusters. In each SiNH3S3 cluster, Si4+ is bonded in a tetrahedral geometry to one N3- and three S2- atoms. The Si–N bond length is 1.91 Å. There are one shorter (2.08 Å) and two longer (2.11 Å) Si–S bond lengths. N3- is bonded in a distorted tetrahedral geometry to one Si4+ and three H1+ atoms. There is two shorter (1.04 Å) and one longer (1.05 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one Si4+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one Si4+ atom. In the third S2- site, S2- is bonded in amore » single-bond geometry to one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-557080
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SiH17S3N5; H-N-S-Si
OSTI Identifier:
1269687
DOI:
https://doi.org/10.17188/1269687

Citation Formats

The Materials Project. Materials Data on SiH17S3N5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269687.
The Materials Project. Materials Data on SiH17S3N5 by Materials Project. United States. doi:https://doi.org/10.17188/1269687
The Materials Project. 2020. "Materials Data on SiH17S3N5 by Materials Project". United States. doi:https://doi.org/10.17188/1269687. https://www.osti.gov/servlets/purl/1269687. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269687,
title = {Materials Data on SiH17S3N5 by Materials Project},
author = {The Materials Project},
abstractNote = {SiNH3S3(NH4)2(NH3)2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four ammonium molecules, and two SiNH3S3 clusters. In each SiNH3S3 cluster, Si4+ is bonded in a tetrahedral geometry to one N3- and three S2- atoms. The Si–N bond length is 1.91 Å. There are one shorter (2.08 Å) and two longer (2.11 Å) Si–S bond lengths. N3- is bonded in a distorted tetrahedral geometry to one Si4+ and three H1+ atoms. There is two shorter (1.04 Å) and one longer (1.05 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one Si4+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one Si4+ atom. In the third S2- site, S2- is bonded in a single-bond geometry to one Si4+ atom.},
doi = {10.17188/1269687},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}