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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2Pt2O7 by Materials Project

Er2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.42 Å) Er–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing OEr2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Pt2O5 by Materials Project

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°.

36 MATERIALS SCIENCE↗