Materials Data on Cu2Se by Materials Project

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

DOI:https://doi.org/10.17188/1197531· OSTI ID:1197531

The Materials Project

Cu2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 10-coordinate geometry to four equivalent Cu1+ and six equivalent Se2- atoms. All Cu–Cu bond lengths are 2.50 Å. All Cu–Se bond lengths are 2.89 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Cu1+ and four equivalent Se2- atoms to form edge-sharing CuCu4Se4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. Se2- is bonded in a 4-coordinate geometry to ten Cu1+ 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: 1197531
• Report Number(s): mp-22297
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Cu2Se
Cu-Se