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Title: Materials Data on Ce3Ho by Materials Project

Abstract

HoCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Ce atoms to form HoCe12 cuboctahedra that share corners with four equivalent HoCe12 cuboctahedra, corners with eight equivalent CeCe8Ho4 cuboctahedra, edges with eight equivalent HoCe12 cuboctahedra, edges with sixteen equivalent CeCe8Ho4 cuboctahedra, faces with four equivalent HoCe12 cuboctahedra, and faces with fourteen CeCe8Ho4 cuboctahedra. There are four shorter (3.38 Å) and eight longer (3.41 Å) Ho–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Ho and eight Ce atoms to form CeCe8Ho4 cuboctahedra that share corners with twelve equivalent CeCe8Ho4 cuboctahedra, edges with eight equivalent HoCe12 cuboctahedra, edges with sixteen CeCe8Ho4 cuboctahedra, faces with four equivalent HoCe12 cuboctahedra, and faces with fourteen CeCe8Ho4 cuboctahedra. There are four shorter (3.38 Å) and four longer (3.41 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Ho and eight equivalent Ce atoms to form CeCe8Ho4 cuboctahedra that share corners with four equivalent CeCe8Ho4 cuboctahedra, corners with eight equivalent HoCe12 cuboctahedra, edges with twenty-four CeCe8Ho4 cuboctahedra, faces with six equivalent HoCe12 cuboctahedra, and faces withmore » twelve CeCe8Ho4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1183838
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; Ce3Ho; Ce-Ho
OSTI Identifier:
1744038
DOI:
https://doi.org/10.17188/1744038

Citation Formats

The Materials Project. Materials Data on Ce3Ho by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744038.
The Materials Project. Materials Data on Ce3Ho by Materials Project. United States. doi:https://doi.org/10.17188/1744038
The Materials Project. 2020. "Materials Data on Ce3Ho by Materials Project". United States. doi:https://doi.org/10.17188/1744038. https://www.osti.gov/servlets/purl/1744038. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744038,
title = {Materials Data on Ce3Ho by Materials Project},
author = {The Materials Project},
abstractNote = {HoCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Ce atoms to form HoCe12 cuboctahedra that share corners with four equivalent HoCe12 cuboctahedra, corners with eight equivalent CeCe8Ho4 cuboctahedra, edges with eight equivalent HoCe12 cuboctahedra, edges with sixteen equivalent CeCe8Ho4 cuboctahedra, faces with four equivalent HoCe12 cuboctahedra, and faces with fourteen CeCe8Ho4 cuboctahedra. There are four shorter (3.38 Å) and eight longer (3.41 Å) Ho–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Ho and eight Ce atoms to form CeCe8Ho4 cuboctahedra that share corners with twelve equivalent CeCe8Ho4 cuboctahedra, edges with eight equivalent HoCe12 cuboctahedra, edges with sixteen CeCe8Ho4 cuboctahedra, faces with four equivalent HoCe12 cuboctahedra, and faces with fourteen CeCe8Ho4 cuboctahedra. There are four shorter (3.38 Å) and four longer (3.41 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Ho and eight equivalent Ce atoms to form CeCe8Ho4 cuboctahedra that share corners with four equivalent CeCe8Ho4 cuboctahedra, corners with eight equivalent HoCe12 cuboctahedra, edges with twenty-four CeCe8Ho4 cuboctahedra, faces with six equivalent HoCe12 cuboctahedra, and faces with twelve CeCe8Ho4 cuboctahedra.},
doi = {10.17188/1744038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}