U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiI2 by Materials Project
Abstract
SiI2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four decaiodocyclopentasilane molecules. there are five inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. There are one shorter (2.41 Å) and one longer (2.42 Å) Si–Si bond lengths. Both Si–I bond lengths are 2.46 Å. In the second Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.39 Å. Both Si–I bond lengths are 2.46 Å. In the third Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.38 Å. Both Si–I bond lengths are 2.46 Å. In the fourth Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.40 Å. Both Si–I bond lengths are 2.46 Å. In the fifth Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. There are one shorter (2.46 Å) and onemore »
- Publication Date:
- Other Number(s):
- mp-541053
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; I-Si; SiI2; crystal structure
- OSTI Identifier:
- 1264931
- DOI:
- https://doi.org/10.17188/1264931
Citation Formats
Materials Data on SiI2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264931.
Materials Data on SiI2 by Materials Project. United States. doi:https://doi.org/10.17188/1264931
2020.
"Materials Data on SiI2 by Materials Project". United States. doi:https://doi.org/10.17188/1264931. https://www.osti.gov/servlets/purl/1264931. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1264931,
title = {Materials Data on SiI2 by Materials Project},
abstractNote = {SiI2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four decaiodocyclopentasilane molecules. there are five inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. There are one shorter (2.41 Å) and one longer (2.42 Å) Si–Si bond lengths. Both Si–I bond lengths are 2.46 Å. In the second Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.39 Å. Both Si–I bond lengths are 2.46 Å. In the third Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.38 Å. Both Si–I bond lengths are 2.46 Å. In the fourth Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.40 Å. Both Si–I bond lengths are 2.46 Å. In the fifth Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. There are one shorter (2.46 Å) and one longer (2.47 Å) Si–I bond lengths. There are ten inequivalent I2+ sites. In the first I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the second I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the third I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the fourth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the fifth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the sixth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the seventh I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the eighth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the ninth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the tenth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom.},
doi = {10.17188/1264931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}