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Title: Materials Data on Si3H by Materials Project

Abstract

(Si)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Si framework. In the Si framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Si atoms to form a mixture of distorted edge and corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.

Authors:
Publication Date:
Other Number(s):
mp-978497
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; Si3H; H-Si
OSTI Identifier:
1315916
DOI:
https://doi.org/10.17188/1315916

Citation Formats

The Materials Project. Materials Data on Si3H by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315916.
The Materials Project. Materials Data on Si3H by Materials Project. United States. doi:https://doi.org/10.17188/1315916
The Materials Project. 2020. "Materials Data on Si3H by Materials Project". United States. doi:https://doi.org/10.17188/1315916. https://www.osti.gov/servlets/purl/1315916. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1315916,
title = {Materials Data on Si3H by Materials Project},
author = {The Materials Project},
abstractNote = {(Si)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Si framework. In the Si framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Si atoms to form a mixture of distorted edge and corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.},
doi = {10.17188/1315916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}