Materials Data on SiAs by Materials Project
Abstract
SiAs crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one SiAs sheet oriented in the (2, 0, -1) direction. there are three inequivalent Si sites. In the first Si site, Si is bonded to one Si and three As atoms to form distorted corner-sharing SiSiAs3 tetrahedra. The Si–Si bond length is 2.35 Å. There are one shorter (2.40 Å) and two longer (2.41 Å) Si–As bond lengths. In the second Si site, Si is bonded to one Si and three As atoms to form corner-sharing SiSiAs3 tetrahedra. There are one shorter (2.40 Å) and two longer (2.41 Å) Si–As bond lengths. In the third Si site, Si is bonded to one Si and three As atoms to form corner-sharing SiSiAs3 tetrahedra. The Si–Si bond length is 2.36 Å. There are two shorter (2.42 Å) and one longer (2.43 Å) Si–As bond lengths. There are three inequivalent As sites. In the first As site, As is bonded in a distorted T-shaped geometry to three Si atoms. In the second As site, As is bonded in a distorted T-shaped geometry to three Si atoms. In the third As site, As is bonded in a distorted T-shapedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1863
- 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; SiAs; As-Si
- OSTI Identifier:
- 1193279
- DOI:
- https://doi.org/10.17188/1193279
Citation Formats
The Materials Project. Materials Data on SiAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193279.
The Materials Project. Materials Data on SiAs by Materials Project. United States. doi:https://doi.org/10.17188/1193279
The Materials Project. 2020.
"Materials Data on SiAs by Materials Project". United States. doi:https://doi.org/10.17188/1193279. https://www.osti.gov/servlets/purl/1193279. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193279,
title = {Materials Data on SiAs by Materials Project},
author = {The Materials Project},
abstractNote = {SiAs crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one SiAs sheet oriented in the (2, 0, -1) direction. there are three inequivalent Si sites. In the first Si site, Si is bonded to one Si and three As atoms to form distorted corner-sharing SiSiAs3 tetrahedra. The Si–Si bond length is 2.35 Å. There are one shorter (2.40 Å) and two longer (2.41 Å) Si–As bond lengths. In the second Si site, Si is bonded to one Si and three As atoms to form corner-sharing SiSiAs3 tetrahedra. There are one shorter (2.40 Å) and two longer (2.41 Å) Si–As bond lengths. In the third Si site, Si is bonded to one Si and three As atoms to form corner-sharing SiSiAs3 tetrahedra. The Si–Si bond length is 2.36 Å. There are two shorter (2.42 Å) and one longer (2.43 Å) Si–As bond lengths. There are three inequivalent As sites. In the first As site, As is bonded in a distorted T-shaped geometry to three Si atoms. In the second As site, As is bonded in a distorted T-shaped geometry to three Si atoms. In the third As site, As is bonded in a distorted T-shaped geometry to three Si atoms.},
doi = {10.17188/1193279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}