Materials Data on Si3H by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1317018· OSTI ID:1317018

The Materials Project

Si3H crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Si3H sheet oriented in the (0, 0, 1) direction. there are three inequivalent Si sites. In the first Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are three shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.36 Å. In the third Si site, Si is bonded in a single-bond geometry to three equivalent Si and one H atom. The Si–H bond length is 1.50 Å. H is bonded in a single-bond geometry to one Si atom.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1317018
• Report Number(s): mp-995193
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Si3H
H-Si