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Title: Materials Data on CeSnPd4 by Materials Project

Abstract

CePd4Sn is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to eleven Pd and four equivalent Sn atoms. There are a spread of Ce–Pd bond distances ranging from 3.09–3.72 Å. There are two shorter (3.53 Å) and two longer (3.59 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a 8-coordinate geometry to thirteen Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.82–3.42 Å. There are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, seven Pd, and two Sn atoms. There are a spread of Pd–Pd bond distances ranging from 2.73–2.94 Å. There are one shorter (2.81 Å) and one longer (2.89 Å) Pd–Sn bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ce, six Pd, and three Sn atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.36 Å. There are a spread of Pd–Sn bond distances ranging from 2.65–3.01 Å. In the third Pdmore » site, Pd is bonded in a 1-coordinate geometry to three Ce, four Pd, and two equivalent Sn atoms. Both Pd–Pd bond lengths are 2.87 Å. Both Pd–Sn bond lengths are 2.76 Å. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to two equivalent Ce, seven Pd, and two equivalent Sn atoms. There are one shorter (2.85 Å) and two longer (3.06 Å) Pd–Pd bond lengths. Both Pd–Sn bond lengths are 2.68 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, seven Pd, and two equivalent Sn atoms. Both Pd–Sn bond lengths are 2.64 Å. In the sixth Pd site, Pd is bonded in a 2-coordinate geometry to four equivalent Ce, six Pd, and two equivalent Sn atoms. Both Pd–Sn bond lengths are 3.01 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ce and eight Pd atoms.« less

Publication Date:
Other Number(s):
mp-1197289
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; CeSnPd4; Ce-Pd-Sn
OSTI Identifier:
1667162
DOI:
https://doi.org/10.17188/1667162

Citation Formats

The Materials Project. Materials Data on CeSnPd4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1667162.
The Materials Project. Materials Data on CeSnPd4 by Materials Project. United States. doi:https://doi.org/10.17188/1667162
The Materials Project. 2019. "Materials Data on CeSnPd4 by Materials Project". United States. doi:https://doi.org/10.17188/1667162. https://www.osti.gov/servlets/purl/1667162. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1667162,
title = {Materials Data on CeSnPd4 by Materials Project},
author = {The Materials Project},
abstractNote = {CePd4Sn is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to eleven Pd and four equivalent Sn atoms. There are a spread of Ce–Pd bond distances ranging from 3.09–3.72 Å. There are two shorter (3.53 Å) and two longer (3.59 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a 8-coordinate geometry to thirteen Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.82–3.42 Å. There are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, seven Pd, and two Sn atoms. There are a spread of Pd–Pd bond distances ranging from 2.73–2.94 Å. There are one shorter (2.81 Å) and one longer (2.89 Å) Pd–Sn bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ce, six Pd, and three Sn atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.36 Å. There are a spread of Pd–Sn bond distances ranging from 2.65–3.01 Å. In the third Pd site, Pd is bonded in a 1-coordinate geometry to three Ce, four Pd, and two equivalent Sn atoms. Both Pd–Pd bond lengths are 2.87 Å. Both Pd–Sn bond lengths are 2.76 Å. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to two equivalent Ce, seven Pd, and two equivalent Sn atoms. There are one shorter (2.85 Å) and two longer (3.06 Å) Pd–Pd bond lengths. Both Pd–Sn bond lengths are 2.68 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, seven Pd, and two equivalent Sn atoms. Both Pd–Sn bond lengths are 2.64 Å. In the sixth Pd site, Pd is bonded in a 2-coordinate geometry to four equivalent Ce, six Pd, and two equivalent Sn atoms. Both Pd–Sn bond lengths are 3.01 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ce and eight Pd atoms.},
doi = {10.17188/1667162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}