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Title: Materials Data on YbAsPd by Materials Project

Abstract

YbPdAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to six equivalent Pd and five As atoms. There are two shorter (3.15 Å) and four longer (3.30 Å) Yb–Pd bond lengths. There are one shorter (2.92 Å) and four longer (2.96 Å) Yb–As bond lengths. Pd is bonded to six equivalent Yb, two equivalent Pd, and four As atoms to form a mixture of distorted edge, face, and corner-sharing PdYb6As4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.90 Å. All Pd–As bond lengths are 2.69 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Pd atoms. In the second As site, As is bonded in a 3-coordinate geometry to three equivalent Yb and six equivalent Pd atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-8953
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; YbAsPd; As-Pd-Yb
OSTI Identifier:
1282076
DOI:
10.17188/1282076

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YbAsPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282076.
Persson, Kristin, & Project, Materials. Materials Data on YbAsPd by Materials Project. United States. doi:10.17188/1282076.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YbAsPd by Materials Project". United States. doi:10.17188/1282076. https://www.osti.gov/servlets/purl/1282076. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282076,
title = {Materials Data on YbAsPd by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YbPdAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to six equivalent Pd and five As atoms. There are two shorter (3.15 Å) and four longer (3.30 Å) Yb–Pd bond lengths. There are one shorter (2.92 Å) and four longer (2.96 Å) Yb–As bond lengths. Pd is bonded to six equivalent Yb, two equivalent Pd, and four As atoms to form a mixture of distorted edge, face, and corner-sharing PdYb6As4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.90 Å. All Pd–As bond lengths are 2.69 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Pd atoms. In the second As site, As is bonded in a 3-coordinate geometry to three equivalent Yb and six equivalent Pd atoms.},
doi = {10.17188/1282076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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