Materials Data on KAu5 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1189305· OSTI ID:1189305

The Materials Project

KAu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to eighteen Au+0.20- atoms. There are six shorter (3.35 Å) and twelve longer (3.70 Å) K–Au bond lengths. There are two inequivalent Au+0.20- sites. In the first Au+0.20- site, Au+0.20- is bonded in a 3-coordinate geometry to three equivalent K1+ and six equivalent Au+0.20- atoms. All Au–Au bond lengths are 2.84 Å. In the second Au+0.20- site, Au+0.20- is bonded to four equivalent K1+ and eight Au+0.20- atoms to form a mixture of face, edge, and corner-sharing AuK4Au8 cuboctahedra. All Au–Au bond lengths are 2.90 Å.

• 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: 1189305
• Report Number(s): mp-1298
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KAu5
Au-K