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Title: Materials Data on AgPtF6 by Materials Project

Abstract

PtAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Pt–F bond distances ranging from 1.95–1.97 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Ag–F bond distances ranging from 2.23–2.40 Å. In the second Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of Ag–F bond distances ranging from 2.24–2.41 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. Inmore » the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom.« less

Publication Date:
Other Number(s):
mp-1214922
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; AgPtF6; Ag-F-Pt
OSTI Identifier:
1651572
DOI:
https://doi.org/10.17188/1651572

Citation Formats

The Materials Project. Materials Data on AgPtF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651572.
The Materials Project. Materials Data on AgPtF6 by Materials Project. United States. doi:https://doi.org/10.17188/1651572
The Materials Project. 2020. "Materials Data on AgPtF6 by Materials Project". United States. doi:https://doi.org/10.17188/1651572. https://www.osti.gov/servlets/purl/1651572. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1651572,
title = {Materials Data on AgPtF6 by Materials Project},
author = {The Materials Project},
abstractNote = {PtAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Pt–F bond distances ranging from 1.95–1.97 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Ag–F bond distances ranging from 2.23–2.40 Å. In the second Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of Ag–F bond distances ranging from 2.24–2.41 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom.},
doi = {10.17188/1651572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}