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Title: Materials Data on Si2H6Se by Materials Project

Abstract

Si2H6Se is alpha Np structured and crystallizes in the tetragonal P4_32_12 space group. The structure is zero-dimensional and consists of eight disilaselenane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. In the second Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 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. Se2-more » is bonded in an L-shaped geometry to two Si atoms.« less

Publication Date:
Other Number(s):
mp-29310
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; Si2H6Se; H-Se-Si
OSTI Identifier:
1203677
DOI:
https://doi.org/10.17188/1203677

Citation Formats

The Materials Project. Materials Data on Si2H6Se by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203677.
The Materials Project. Materials Data on Si2H6Se by Materials Project. United States. doi:https://doi.org/10.17188/1203677
The Materials Project. 2020. "Materials Data on Si2H6Se by Materials Project". United States. doi:https://doi.org/10.17188/1203677. https://www.osti.gov/servlets/purl/1203677. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203677,
title = {Materials Data on Si2H6Se by Materials Project},
author = {The Materials Project},
abstractNote = {Si2H6Se is alpha Np structured and crystallizes in the tetragonal P4_32_12 space group. The structure is zero-dimensional and consists of eight disilaselenane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. In the second Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 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. Se2- is bonded in an L-shaped geometry to two Si atoms.},
doi = {10.17188/1203677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}