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Title: Materials Data on PtO3 by Materials Project

Abstract

PtO3 is Upper Bainite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pt6+ sites. In the first Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the second Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the third Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. In the fourth Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the second O2- site, O2- is bonded in a bentmore » 120 degrees geometry to two Pt6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768242
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PtO3; O-Pt
OSTI Identifier:
1298307
DOI:
10.17188/1298307

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PtO3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1298307.
Persson, Kristin, & Project, Materials. Materials Data on PtO3 by Materials Project. United States. doi:10.17188/1298307.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on PtO3 by Materials Project". United States. doi:10.17188/1298307. https://www.osti.gov/servlets/purl/1298307. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1298307,
title = {Materials Data on PtO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PtO3 is Upper Bainite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pt6+ sites. In the first Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the second Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the third Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. In the fourth Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms.},
doi = {10.17188/1298307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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