DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cu4PtO5 by Materials Project

Abstract

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 formmore » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-753552
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cu4PtO5; Cu-O-Pt
OSTI Identifier:
1289058
DOI:
https://doi.org/10.17188/1289058

Citation Formats

The Materials Project. Materials Data on Cu4PtO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289058.
The Materials Project. Materials Data on Cu4PtO5 by Materials Project. United States. doi:https://doi.org/10.17188/1289058
The Materials Project. 2020. "Materials Data on Cu4PtO5 by Materials Project". United States. doi:https://doi.org/10.17188/1289058. https://www.osti.gov/servlets/purl/1289058. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289058,
title = {Materials Data on Cu4PtO5 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1289058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}