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Title: Materials Data on CaPd5 by Materials Project

Abstract

CaPd5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a distorted hexagonal planar geometry to eighteen Pd atoms. There are six shorter (3.09 Å) and twelve longer (3.49 Å) Ca–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Ca and six equivalent Pd atoms. All Pd–Pd bond lengths are 2.73 Å. In the second Pd site, Pd is bonded to four equivalent Ca and eight Pd atoms to form a mixture of face, edge, and corner-sharing PdCa4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.67 Å.

Publication Date:
Other Number(s):
mp-11826
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; CaPd5; Ca-Pd
OSTI Identifier:
1188404
DOI:
10.17188/1188404

Citation Formats

The Materials Project. Materials Data on CaPd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188404.
The Materials Project. Materials Data on CaPd5 by Materials Project. United States. doi:10.17188/1188404.
The Materials Project. 2020. "Materials Data on CaPd5 by Materials Project". United States. doi:10.17188/1188404. https://www.osti.gov/servlets/purl/1188404. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188404,
title = {Materials Data on CaPd5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaPd5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a distorted hexagonal planar geometry to eighteen Pd atoms. There are six shorter (3.09 Å) and twelve longer (3.49 Å) Ca–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Ca and six equivalent Pd atoms. All Pd–Pd bond lengths are 2.73 Å. In the second Pd site, Pd is bonded to four equivalent Ca and eight Pd atoms to form a mixture of face, edge, and corner-sharing PdCa4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.67 Å.},
doi = {10.17188/1188404},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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