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Title: Materials Data on Y4CdPd by Materials Project

Abstract

Y4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Y–Pd bond lengths are 2.89 Å. All Y–Cd bond lengths are 3.39 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Y–Pd bond lengths are 2.88 Å. Both Y–Cd bond lengths are 3.54 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Y–Pd bond lengths are 3.57 Å. Both Y–Cd bond lengths are 3.29 Å. Pd is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.20 Å.

Publication Date:
Other Number(s):
mp-1207818
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; Y4CdPd; Cd-Pd-Y
OSTI Identifier:
1757573
DOI:
https://doi.org/10.17188/1757573

Citation Formats

The Materials Project. Materials Data on Y4CdPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757573.
The Materials Project. Materials Data on Y4CdPd by Materials Project. United States. doi:https://doi.org/10.17188/1757573
The Materials Project. 2020. "Materials Data on Y4CdPd by Materials Project". United States. doi:https://doi.org/10.17188/1757573. https://www.osti.gov/servlets/purl/1757573. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757573,
title = {Materials Data on Y4CdPd by Materials Project},
author = {The Materials Project},
abstractNote = {Y4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Y–Pd bond lengths are 2.89 Å. All Y–Cd bond lengths are 3.39 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Y–Pd bond lengths are 2.88 Å. Both Y–Cd bond lengths are 3.54 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Y–Pd bond lengths are 3.57 Å. Both Y–Cd bond lengths are 3.29 Å. Pd is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.20 Å.},
doi = {10.17188/1757573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}