Materials Data on SmCuSeF by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1197608· OSTI ID:1197608

The Materials Project

SmCuSeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sm–Se bond lengths are 2.95 Å. All Sm–F bond lengths are 2.51 Å. Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.67 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Sm2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Sm2+ atoms to form a mixture of distorted edge and corner-sharing FSm4 tetrahedra.

• 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: 1197608
• Report Number(s): mp-22392
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
SmCuSeF
Cu-F-Se-Sm