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Title: Materials Data on Ce3Hf by Materials Project

Abstract

Ce3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with twelve equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra. All Ce–Ce bond lengths are 3.32 Å. All Ce–Hf bond lengths are 3.32 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with four equivalent CeCe8Hf4 cuboctahedra, corners with eight equivalent HfCe12 cuboctahedra, edges with twenty-four CeCe8Hf4 cuboctahedra, faces with six equivalent HfCe12 cuboctahedra, and faces with twelve CeCe8Hf4 cuboctahedra. All Ce–Hf bond lengths are 3.32 Å. Hf is bonded to twelve Ce atoms to form HfCe12 cuboctahedra that share corners with four equivalent HfCe12 cuboctahedra, corners with eight equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1183827
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; Ce3Hf; Ce-Hf
OSTI Identifier:
1736369
DOI:
https://doi.org/10.17188/1736369

Citation Formats

The Materials Project. Materials Data on Ce3Hf by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736369.
The Materials Project. Materials Data on Ce3Hf by Materials Project. United States. doi:https://doi.org/10.17188/1736369
The Materials Project. 2020. "Materials Data on Ce3Hf by Materials Project". United States. doi:https://doi.org/10.17188/1736369. https://www.osti.gov/servlets/purl/1736369. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1736369,
title = {Materials Data on Ce3Hf by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with twelve equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra. All Ce–Ce bond lengths are 3.32 Å. All Ce–Hf bond lengths are 3.32 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with four equivalent CeCe8Hf4 cuboctahedra, corners with eight equivalent HfCe12 cuboctahedra, edges with twenty-four CeCe8Hf4 cuboctahedra, faces with six equivalent HfCe12 cuboctahedra, and faces with twelve CeCe8Hf4 cuboctahedra. All Ce–Hf bond lengths are 3.32 Å. Hf is bonded to twelve Ce atoms to form HfCe12 cuboctahedra that share corners with four equivalent HfCe12 cuboctahedra, corners with eight equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra.},
doi = {10.17188/1736369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}