Materials Data on Ni(Pt3O4)4 by Materials Project

Abstract

Ni(Pt3O4)4 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional. Pt+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.03 Å) Pt–O bond lengths. Ni2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ni–O bond lengths are 2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Pt+2.50+ atoms. In the second O2- site, O2- is bonded to three equivalent Pt+2.50+ and one Ni2+ atom to form a mixture of edge and corner-sharing ONiPt3 trigonal pyramids.