Materials Data on SiAu3 by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1744983· OSTI ID:1744983

The Materials Project

Au3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Au+1.33+ sites. In the first Au+1.33+ site, Au+1.33+ is bonded to four equivalent Au+1.33+ and four equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing AuSi4Au4 tetrahedra. All Au–Au bond lengths are 2.85 Å. All Au–Si bond lengths are 2.85 Å. In the second Au+1.33+ site, Au+1.33+ is bonded in a distorted body-centered cubic geometry to eight equivalent Au+1.33+ atoms. Si4- is bonded in a body-centered cubic geometry to eight equivalent Au+1.33+ 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: 1744983
• Report Number(s): mp-1186998
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
SiAu3
Au-Si