DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ce5Sn4 by Materials Project

Abstract

Ce5Sn4 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.17–3.36 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.22–3.69 Å. In the third Ce site, Ce is bonded to six Sn atoms to form distorted corner-sharing CeSn6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are a spread of Ce–Sn bond distances ranging from 3.21–3.49 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Ce and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Ce atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Ce and one Sn atom.

Publication Date:
Other Number(s):
mp-21693
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; Ce5Sn4; Ce-Sn
OSTI Identifier:
1197119
DOI:
https://doi.org/10.17188/1197119

Citation Formats

The Materials Project. Materials Data on Ce5Sn4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197119.
The Materials Project. Materials Data on Ce5Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1197119
The Materials Project. 2020. "Materials Data on Ce5Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1197119. https://www.osti.gov/servlets/purl/1197119. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1197119,
title = {Materials Data on Ce5Sn4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce5Sn4 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.17–3.36 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.22–3.69 Å. In the third Ce site, Ce is bonded to six Sn atoms to form distorted corner-sharing CeSn6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are a spread of Ce–Sn bond distances ranging from 3.21–3.49 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to eight Ce and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Ce atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to eight Ce and one Sn atom.},
doi = {10.17188/1197119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}