Materials Data on Er2Pt2O5 by Materials Project

Abstract

Er2Pt2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.16 Å) and four longer (2.19 Å) Er–O bond lengths. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pt–O bond lengths are 2.24 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Pt2+ atoms to form distorted OEr2Pt2 tetrahedra that share corners with two equivalent OEr2Pt4 octahedra, corners with ten equivalent OEr2Pt2 tetrahedra, and edges with five equivalent OEr2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second O2- site, O2- is bonded to two equivalent Er3+ and four equivalent Pt2+ atoms to form OEr2Pt4 octahedra that share corners with four equivalent OEr2Pt4 octahedra, corners with eight equivalent OEr2Pt2 tetrahedra, and edges with four equivalent OEr2Pt4 octahedra. The corner-sharing octahedral tilt angles are 0°.