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Title: Materials Data on AgPd by Materials Project

Abstract

PdAg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six equivalent Pd and six Ag atoms to form PdAg6Pd6 cuboctahedra that share corners with twelve PdAg6Pd6 cuboctahedra, edges with twelve PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, faces with six equivalent PdAg6Pd6 cuboctahedra, and faces with twelve AgAg6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.87 Å. All Pd–Ag bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to ten equivalent Pd and six Ag atoms to form PdAg6Pd10 cuboctahedra that share corners with ten AgAg6Pd6 cuboctahedra, corners with twelve PdAg6Pd6 cuboctahedra, edges with eight AgAg6Pd6 cuboctahedra, edges with sixteen PdAg6Pd6 cuboctahedra, faces with sixteen equivalent PdAg6Pd10 cuboctahedra, and faces with eighteen AgAg6Pd6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.87–5.74 Å. All Pd–Ag bond lengths are 2.86 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent Pd and six equivalent Ag atoms to form AgAg6Pd6 cuboctahedra that share corners with twelve AgAg6Pd6 cuboctahedra, edges with twelve equivalent PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, facesmore » with six equivalent AgAg6Pd6 cuboctahedra, and faces with twelve equivalent PdAg6Pd6 cuboctahedra. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to six Pd and six equivalent Ag atoms to form AgAg6Pd6 cuboctahedra that share corners with five equivalent PdAg6Pd10 cuboctahedra, corners with twelve AgAg6Pd6 cuboctahedra, edges with ten PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, faces with six equivalent AgAg6Pd6 cuboctahedra, and faces with fifteen PdAg6Pd6 cuboctahedra. All Ag–Pd bond lengths are 2.86 Å. All Ag–Ag bond lengths are 2.87 Å. In the third Ag site, Ag is bonded to six Pd and six equivalent Ag atoms to form AgAg6Pd6 cuboctahedra that share corners with five equivalent PdAg6Pd10 cuboctahedra, corners with twelve AgAg6Pd6 cuboctahedra, edges with ten PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, faces with six equivalent AgAg6Pd6 cuboctahedra, and faces with fifteen PdAg6Pd6 cuboctahedra. All Ag–Ag bond lengths are 2.87 Å.« less

Publication Date:
Other Number(s):
mp-1229012
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; AgPd; Ag-Pd
OSTI Identifier:
1679566
DOI:
https://doi.org/10.17188/1679566

Citation Formats

The Materials Project. Materials Data on AgPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679566.
The Materials Project. Materials Data on AgPd by Materials Project. United States. doi:https://doi.org/10.17188/1679566
The Materials Project. 2020. "Materials Data on AgPd by Materials Project". United States. doi:https://doi.org/10.17188/1679566. https://www.osti.gov/servlets/purl/1679566. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679566,
title = {Materials Data on AgPd by Materials Project},
author = {The Materials Project},
abstractNote = {PdAg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six equivalent Pd and six Ag atoms to form PdAg6Pd6 cuboctahedra that share corners with twelve PdAg6Pd6 cuboctahedra, edges with twelve PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, faces with six equivalent PdAg6Pd6 cuboctahedra, and faces with twelve AgAg6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.87 Å. All Pd–Ag bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to ten equivalent Pd and six Ag atoms to form PdAg6Pd10 cuboctahedra that share corners with ten AgAg6Pd6 cuboctahedra, corners with twelve PdAg6Pd6 cuboctahedra, edges with eight AgAg6Pd6 cuboctahedra, edges with sixteen PdAg6Pd6 cuboctahedra, faces with sixteen equivalent PdAg6Pd10 cuboctahedra, and faces with eighteen AgAg6Pd6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.87–5.74 Å. All Pd–Ag bond lengths are 2.86 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent Pd and six equivalent Ag atoms to form AgAg6Pd6 cuboctahedra that share corners with twelve AgAg6Pd6 cuboctahedra, edges with twelve equivalent PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, faces with six equivalent AgAg6Pd6 cuboctahedra, and faces with twelve equivalent PdAg6Pd6 cuboctahedra. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to six Pd and six equivalent Ag atoms to form AgAg6Pd6 cuboctahedra that share corners with five equivalent PdAg6Pd10 cuboctahedra, corners with twelve AgAg6Pd6 cuboctahedra, edges with ten PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, faces with six equivalent AgAg6Pd6 cuboctahedra, and faces with fifteen PdAg6Pd6 cuboctahedra. All Ag–Pd bond lengths are 2.86 Å. All Ag–Ag bond lengths are 2.87 Å. In the third Ag site, Ag is bonded to six Pd and six equivalent Ag atoms to form AgAg6Pd6 cuboctahedra that share corners with five equivalent PdAg6Pd10 cuboctahedra, corners with twelve AgAg6Pd6 cuboctahedra, edges with ten PdAg6Pd6 cuboctahedra, edges with twelve AgAg6Pd6 cuboctahedra, faces with six equivalent AgAg6Pd6 cuboctahedra, and faces with fifteen PdAg6Pd6 cuboctahedra. All Ag–Ag bond lengths are 2.87 Å.},
doi = {10.17188/1679566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}