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Title: Materials Data on SrCe3 by Materials Project

Abstract

SrCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve Ce atoms to form SrCe12 cuboctahedra that share corners with six equivalent SrCe12 cuboctahedra, corners with twelve equivalent CeSr4Ce8 cuboctahedra, edges with eighteen CeSr4Ce8 cuboctahedra, faces with eight equivalent SrCe12 cuboctahedra, and faces with twelve CeSr4Ce8 cuboctahedra. All Sr–Ce bond lengths are 3.69 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Sr and eight Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.38–4.00 Å. In the second Ce site, Ce is bonded to four equivalent Sr and eight equivalent Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve equivalent CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-972286
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; SrCe3; Ce-Sr
OSTI Identifier:
1313798
DOI:
https://doi.org/10.17188/1313798

Citation Formats

The Materials Project. Materials Data on SrCe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313798.
The Materials Project. Materials Data on SrCe3 by Materials Project. United States. doi:https://doi.org/10.17188/1313798
The Materials Project. 2020. "Materials Data on SrCe3 by Materials Project". United States. doi:https://doi.org/10.17188/1313798. https://www.osti.gov/servlets/purl/1313798. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1313798,
title = {Materials Data on SrCe3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve Ce atoms to form SrCe12 cuboctahedra that share corners with six equivalent SrCe12 cuboctahedra, corners with twelve equivalent CeSr4Ce8 cuboctahedra, edges with eighteen CeSr4Ce8 cuboctahedra, faces with eight equivalent SrCe12 cuboctahedra, and faces with twelve CeSr4Ce8 cuboctahedra. All Sr–Ce bond lengths are 3.69 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Sr and eight Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.38–4.00 Å. In the second Ce site, Ce is bonded to four equivalent Sr and eight equivalent Ce atoms to form distorted CeSr4Ce8 cuboctahedra that share corners with four equivalent SrCe12 cuboctahedra, corners with fourteen CeSr4Ce8 cuboctahedra, edges with six equivalent SrCe12 cuboctahedra, edges with twelve equivalent CeSr4Ce8 cuboctahedra, faces with four equivalent SrCe12 cuboctahedra, and faces with sixteen CeSr4Ce8 cuboctahedra.},
doi = {10.17188/1313798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}