Materials Data on Si3H by Materials Project

Dataset · Fri Jul 24 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1315916· OSTI ID:1315916

The Materials Project

(Si)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Si framework. In the Si framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Si atoms to form a mixture of distorted edge and corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.

• 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: 1315916
• Report Number(s): mp-978497
• 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