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Title: Materials Data on Zr6Be15Pd8 by Materials Project

Abstract

Be15Zr6Pd8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to four equivalent Be, four equivalent Zr, and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing BeZr4Be4Pd4 cuboctahedra. All Be–Be bond lengths are 2.35 Å. All Be–Zr bond lengths are 2.93 Å. All Be–Pd bond lengths are 2.48 Å. In the second Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Be–Pd bond lengths are 2.49 Å. In the third Be site, Be is bonded in a 12-coordinate geometry to six Be, three equivalent Zr, and three equivalent Pd atoms. All Be–Be bond lengths are 2.45 Å. All Be–Zr bond lengths are 2.85 Å. All Be–Pd bond lengths are 2.43 Å. Zr is bonded in a 8-coordinate geometry to eight Be and four equivalent Pd atoms. All Zr–Pd bond lengths are 2.88 Å. Pd is bonded in a 10-coordinate geometry to seven Be and three equivalent Zr atoms.

Authors:
Publication Date:
Other Number(s):
mp-1207398
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zr6Be15Pd8; Be-Pd-Zr
OSTI Identifier:
1758224
DOI:
https://doi.org/10.17188/1758224

Citation Formats

The Materials Project. Materials Data on Zr6Be15Pd8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758224.
The Materials Project. Materials Data on Zr6Be15Pd8 by Materials Project. United States. doi:https://doi.org/10.17188/1758224
The Materials Project. 2020. "Materials Data on Zr6Be15Pd8 by Materials Project". United States. doi:https://doi.org/10.17188/1758224. https://www.osti.gov/servlets/purl/1758224. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758224,
title = {Materials Data on Zr6Be15Pd8 by Materials Project},
author = {The Materials Project},
abstractNote = {Be15Zr6Pd8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to four equivalent Be, four equivalent Zr, and four equivalent Pd atoms to form a mixture of distorted face and corner-sharing BeZr4Be4Pd4 cuboctahedra. All Be–Be bond lengths are 2.35 Å. All Be–Zr bond lengths are 2.93 Å. All Be–Pd bond lengths are 2.48 Å. In the second Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Be–Pd bond lengths are 2.49 Å. In the third Be site, Be is bonded in a 12-coordinate geometry to six Be, three equivalent Zr, and three equivalent Pd atoms. All Be–Be bond lengths are 2.45 Å. All Be–Zr bond lengths are 2.85 Å. All Be–Pd bond lengths are 2.43 Å. Zr is bonded in a 8-coordinate geometry to eight Be and four equivalent Pd atoms. All Zr–Pd bond lengths are 2.88 Å. Pd is bonded in a 10-coordinate geometry to seven Be and three equivalent Zr atoms.},
doi = {10.17188/1758224},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}