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Title: Materials Data on Ce3Sn5 by Materials Project

Abstract

Ce3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.14–3.58 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.26–3.51 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Ce and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.24 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Ce and four Sn atoms. There are two shorter (3.10 Å) and one longer (3.19 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 3-coordinate geometry to six Ce and two equivalent Sn atoms.

Authors:
Publication Date:
Other Number(s):
mp-1189084
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; Ce3Sn5; Ce-Sn
OSTI Identifier:
1681393
DOI:
https://doi.org/10.17188/1681393

Citation Formats

The Materials Project. Materials Data on Ce3Sn5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681393.
The Materials Project. Materials Data on Ce3Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1681393
The Materials Project. 2020. "Materials Data on Ce3Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1681393. https://www.osti.gov/servlets/purl/1681393. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1681393,
title = {Materials Data on Ce3Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.14–3.58 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.26–3.51 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Ce and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.24 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Ce and four Sn atoms. There are two shorter (3.10 Å) and one longer (3.19 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 3-coordinate geometry to six Ce and two equivalent Sn atoms.},
doi = {10.17188/1681393},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}