Materials Data on Mn2Pt2O5 by Materials Project

Abstract

Mn2Pt2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.05 Å) and four longer (2.08 Å) Mn–O bond lengths. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pt–O bond lengths are 2.16 Å. In the second Pt3+ site, Pt3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mn2+ and two equivalent Pt3+ atoms to form OMn2Pt2 tetrahedra that share corners with two equivalent OMn2Pt4 octahedra, corners with ten equivalent OMn2Pt2 tetrahedra, and edges with five equivalent OMn2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Pt3+ atoms to form OMn2Pt4 octahedra that share corners with four equivalent OMn2Pt4 octahedra, corners with eight equivalent OMn2Pt2 tetrahedra, and edges with four equivalent OMn2Pt4 octahedra. The corner-sharing octahedral tilt angles are 0°.