Materials Data on Ni4O3 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1695882· OSTI ID:1695882

The Materials Project

Ni4O3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 2.08 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded to six equivalent O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.08 Å. O2- is bonded to six Ni+1.50+ atoms to form a mixture of corner and edge-sharing ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

• 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: 1695882
• Report Number(s): mp-1094096
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ni4O3
Ni-O