Materials Data on Cr2NiO4 by Materials Project

Dataset · Mon Aug 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1194350· OSTI ID:1194350

The Materials Project

NiCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent NiO4 tetrahedra and edges with six equivalent CrO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Cr–O bond lengths. Ni2+ is bonded to four equivalent O2- atoms to form NiO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. All Ni–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Ni2+ 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: 1194350
• Report Number(s): mp-19344
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Cr2NiO4
Cr-Ni-O