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Title: Materials Data on CeSb3Pd by Materials Project

Abstract

CePdSb3 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of Ce–Sb bond distances ranging from 3.44–3.62 Å. Pd2+ is bonded in a 5-coordinate geometry to five Sb+1.67- atoms. There are one shorter (2.63 Å) and four longer (2.86 Å) Pd–Sb bond lengths. There are three inequivalent Sb+1.67- sites. In the first Sb+1.67- site, Sb+1.67- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Pd2+ atoms. In the second Sb+1.67- site, Sb+1.67- is bonded in a distorted body-centered cubic geometry to four equivalent Ce3+ and four equivalent Sb+1.67- atoms. All Sb–Sb bond lengths are 2.94 Å. In the third Sb+1.67- site, Sb+1.67- is bonded in a 1-coordinate geometry to one Ce3+, one Pd2+, and four equivalent Sb+1.67- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1078616
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; CeSb3Pd; Ce-Pd-Sb
OSTI Identifier:
1738579
DOI:
https://doi.org/10.17188/1738579

Citation Formats

The Materials Project. Materials Data on CeSb3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738579.
The Materials Project. Materials Data on CeSb3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1738579
The Materials Project. 2020. "Materials Data on CeSb3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1738579. https://www.osti.gov/servlets/purl/1738579. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738579,
title = {Materials Data on CeSb3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {CePdSb3 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of Ce–Sb bond distances ranging from 3.44–3.62 Å. Pd2+ is bonded in a 5-coordinate geometry to five Sb+1.67- atoms. There are one shorter (2.63 Å) and four longer (2.86 Å) Pd–Sb bond lengths. There are three inequivalent Sb+1.67- sites. In the first Sb+1.67- site, Sb+1.67- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Pd2+ atoms. In the second Sb+1.67- site, Sb+1.67- is bonded in a distorted body-centered cubic geometry to four equivalent Ce3+ and four equivalent Sb+1.67- atoms. All Sb–Sb bond lengths are 2.94 Å. In the third Sb+1.67- site, Sb+1.67- is bonded in a 1-coordinate geometry to one Ce3+, one Pd2+, and four equivalent Sb+1.67- atoms.},
doi = {10.17188/1738579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}