U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si5(H2Cl)4 by Materials Project
Abstract
Si5(H2Cl)4 is Protactinium structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two Si5(H2Cl)4 clusters. there are two inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a tetrahedral geometry to four equivalent Si+0.80- atoms. All Si–Si bond lengths are 2.38 Å. In the second Si+0.80- site, Si+0.80- is bonded in a trigonal non-coplanar geometry to one Si+0.80-, two H1+, and one Cl1- atom. Both Si–H bond lengths are 1.49 Å. The Si–Cl bond length is 2.10 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Si+0.80- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Si+0.80- atom. Cl1- is bonded in a single-bond geometry to one Si+0.80- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1188581
- 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; Si5(H2Cl)4; Cl-H-Si
- OSTI Identifier:
- 1722498
- DOI:
- https://doi.org/10.17188/1722498
Citation Formats
The Materials Project. Materials Data on Si5(H2Cl)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722498.
The Materials Project. Materials Data on Si5(H2Cl)4 by Materials Project. United States. doi:https://doi.org/10.17188/1722498
The Materials Project. 2020.
"Materials Data on Si5(H2Cl)4 by Materials Project". United States. doi:https://doi.org/10.17188/1722498. https://www.osti.gov/servlets/purl/1722498. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722498,
title = {Materials Data on Si5(H2Cl)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Si5(H2Cl)4 is Protactinium structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two Si5(H2Cl)4 clusters. there are two inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a tetrahedral geometry to four equivalent Si+0.80- atoms. All Si–Si bond lengths are 2.38 Å. In the second Si+0.80- site, Si+0.80- is bonded in a trigonal non-coplanar geometry to one Si+0.80-, two H1+, and one Cl1- atom. Both Si–H bond lengths are 1.49 Å. The Si–Cl bond length is 2.10 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Si+0.80- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Si+0.80- atom. Cl1- is bonded in a single-bond geometry to one Si+0.80- atom.},
doi = {10.17188/1722498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}