Materials Data on FeCu2(CN)6 by Materials Project

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

DOI:https://doi.org/10.17188/1197628· OSTI ID:1197628

The Materials Project

Cu2Fe(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four cuprum molecules and one FeCu(CN)6 framework. In the FeCu(CN)6 framework, Fe2+ is bonded in an octahedral geometry to six equivalent C+2.33+ atoms. All Fe–C bond lengths are 1.88 Å. Cu1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Cu–N bond lengths are 2.04 Å. C+2.33+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Cu1+ and one C+2.33+ atom.

• 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: 1197628
• Report Number(s): mp-22413
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
FeCu2(CN)6
C-Cu-Fe-N