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

Title: Materials Data on Si3H9N by Materials Project

Abstract

Si3NH9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two silanamine, n,n-disilyl- molecules. there are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the second Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the third Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. N3- is bonded in a trigonal planar geometry to three Si+1.33- atoms. There are nine inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In themore » third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the sixth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the seventh H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the eighth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the ninth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom.« less

Publication Date:
Other Number(s):
mp-24026
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; Si3H9N; H-N-Si
OSTI Identifier:
1199869
DOI:
https://doi.org/10.17188/1199869

Citation Formats

The Materials Project. Materials Data on Si3H9N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199869.
The Materials Project. Materials Data on Si3H9N by Materials Project. United States. doi:https://doi.org/10.17188/1199869
The Materials Project. 2020. "Materials Data on Si3H9N by Materials Project". United States. doi:https://doi.org/10.17188/1199869. https://www.osti.gov/servlets/purl/1199869. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199869,
title = {Materials Data on Si3H9N by Materials Project},
author = {The Materials Project},
abstractNote = {Si3NH9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two silanamine, n,n-disilyl- molecules. there are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the second Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. In the third Si+1.33- site, Si+1.33- is bonded to one N3- and three H+0.78+ atoms to form corner-sharing SiH3N tetrahedra. The Si–N bond length is 1.75 Å. There is two shorter (1.49 Å) and one longer (1.50 Å) Si–H bond length. N3- is bonded in a trigonal planar geometry to three Si+1.33- atoms. There are nine inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the sixth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the seventh H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the eighth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom. In the ninth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one Si+1.33- atom.},
doi = {10.17188/1199869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}