Materials Data on Cu3Sb by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1196096· OSTI ID:1196096

The Materials Project

Cu3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.76 Å) and two longer (2.83 Å) Cu–Sb bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. There are a spread of Cu–Sb bond distances ranging from 2.75–2.89 Å. Sb3- is bonded to twelve Cu1+ atoms to form a mixture of face, edge, and corner-sharing SbCu12 cuboctahedra.

• 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: 1196096
• Report Number(s): mp-20900
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Cu3Sb
Cu-Sb