Materials Data on Fe(NiO2)2 by Materials Project

Dataset · Tue Jul 18 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1279905· OSTI ID:1279905

The Materials Project

Ni2FeO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Fe–O bond lengths are 1.92 Å. Ni+2.50+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent NiO6 octahedra. All Ni–O bond lengths are 2.02 Å. O2- is bonded to one Fe3+ and three equivalent Ni+2.50+ atoms to form a mixture of distorted edge and corner-sharing OFeNi3 trigonal pyramids.

• 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: 1279905
• Report Number(s): mp-640147
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Fe(NiO2)2
Fe-Ni-O