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Title: Materials Data on AgPdF6 by Materials Project

Abstract

PdAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pd4+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of Pd–F bond distances ranging from 1.93–1.98 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of Ag–F bond distances ranging from 2.13–2.43 Å. In the second Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of Ag–F bond distances ranging from 2.15–2.45 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd4+ and one Ag2+ atom. In themore » third F1- site, F1- is bonded in a 2-coordinate geometry to one Pd4+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd4+ and one Ag2+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom.« less

Publication Date:
Other Number(s):
mp-31215
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; AgPdF6; Ag-F-Pd
OSTI Identifier:
1205512
DOI:
10.17188/1205512

Citation Formats

The Materials Project. Materials Data on AgPdF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205512.
The Materials Project. Materials Data on AgPdF6 by Materials Project. United States. doi:10.17188/1205512.
The Materials Project. 2020. "Materials Data on AgPdF6 by Materials Project". United States. doi:10.17188/1205512. https://www.osti.gov/servlets/purl/1205512. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205512,
title = {Materials Data on AgPdF6 by Materials Project},
author = {The Materials Project},
abstractNote = {PdAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pd4+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of Pd–F bond distances ranging from 1.93–1.98 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of Ag–F bond distances ranging from 2.13–2.43 Å. In the second Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of Ag–F bond distances ranging from 2.15–2.45 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd4+ and one Ag2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Pd4+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd4+ and one Ag2+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom.},
doi = {10.17188/1205512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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