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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cu4PtO5 by Materials Project

PtCu4O5 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Pt6+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Pt–O bond lengths. There are five inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.95 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.96 Å) Cu–O bond length. In the third Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. In the fourth Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.99 Å. In the fifth Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.97–2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the second O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the third O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the fourth O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the fifth O2- site, O2- is bonded to four Cu1+ atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu4PtO5 by Materials Project

PtCu4O5 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Pt6+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Pt–O bond lengths. There are five inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (1.96 Å) Cu–O bond length. In the third Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (1.98 Å) Cu–O bond length. In the fourth Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.98 Å) and two longer (2.00 Å) Cu–O bond length. In the fifth Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Cu1+ atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra. In the second O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form OCu3Pt tetrahedra that share corners with eight OCu4 tetrahedra and edges with two equivalent OCu3Pt tetrahedra. In the third O2- site, O2- is bonded to two equivalent Pt6+ and two equivalent Cu1+ atoms to form OCu2Pt2 tetrahedra that share corners with eight equivalent OCu3Pt tetrahedra and edges with two equivalent OCu2Pt2 tetrahedra.

36 MATERIALS SCIENCE↗