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Title: Materials Data on Yb3Ta by Materials Project

Abstract

Yb3Ta is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to eight Yb and four equivalent Ta atoms to form distorted YbYb8Ta4 cuboctahedra that share corners with twelve equivalent YbYb8Ta4 cuboctahedra, edges with eight equivalent TaYb12 cuboctahedra, edges with sixteen YbYb8Ta4 cuboctahedra, faces with four equivalent TaYb12 cuboctahedra, and faces with fourteen YbYb8Ta4 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.49 Å) Yb–Yb bond lengths. All Yb–Ta bond lengths are 3.45 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Ta atoms to form YbYb8Ta4 cuboctahedra that share corners with four equivalent YbYb8Ta4 cuboctahedra, corners with eight equivalent TaYb12 cuboctahedra, edges with twenty-four YbYb8Ta4 cuboctahedra, faces with six equivalent TaYb12 cuboctahedra, and faces with twelve YbYb8Ta4 cuboctahedra. All Yb–Ta bond lengths are 3.49 Å. Ta is bonded to twelve Yb atoms to form TaYb12 cuboctahedra that share corners with four equivalent TaYb12 cuboctahedra, corners with eight equivalent YbYb8Ta4 cuboctahedra, edges with eight equivalent TaYb12 cuboctahedra, edges with sixteen equivalent YbYb8Ta4 cuboctahedra, faces with four equivalent TaYb12 cuboctahedra, and facesmore » with fourteen YbYb8Ta4 cuboctahedra.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1316185
Report Number(s):
mp-979953
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Yb3Ta; Ta-Yb

Citation Formats

The Materials Project. Materials Data on Yb3Ta by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316185.
The Materials Project. Materials Data on Yb3Ta by Materials Project. United States. https://doi.org/10.17188/1316185
The Materials Project. 2020. "Materials Data on Yb3Ta by Materials Project". United States. https://doi.org/10.17188/1316185. https://www.osti.gov/servlets/purl/1316185.
@article{osti_1316185,
title = {Materials Data on Yb3Ta by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3Ta is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to eight Yb and four equivalent Ta atoms to form distorted YbYb8Ta4 cuboctahedra that share corners with twelve equivalent YbYb8Ta4 cuboctahedra, edges with eight equivalent TaYb12 cuboctahedra, edges with sixteen YbYb8Ta4 cuboctahedra, faces with four equivalent TaYb12 cuboctahedra, and faces with fourteen YbYb8Ta4 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.49 Å) Yb–Yb bond lengths. All Yb–Ta bond lengths are 3.45 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Ta atoms to form YbYb8Ta4 cuboctahedra that share corners with four equivalent YbYb8Ta4 cuboctahedra, corners with eight equivalent TaYb12 cuboctahedra, edges with twenty-four YbYb8Ta4 cuboctahedra, faces with six equivalent TaYb12 cuboctahedra, and faces with twelve YbYb8Ta4 cuboctahedra. All Yb–Ta bond lengths are 3.49 Å. Ta is bonded to twelve Yb atoms to form TaYb12 cuboctahedra that share corners with four equivalent TaYb12 cuboctahedra, corners with eight equivalent YbYb8Ta4 cuboctahedra, edges with eight equivalent TaYb12 cuboctahedra, edges with sixteen equivalent YbYb8Ta4 cuboctahedra, faces with four equivalent TaYb12 cuboctahedra, and faces with fourteen YbYb8Ta4 cuboctahedra.},
doi = {10.17188/1316185},
url = {https://www.osti.gov/biblio/1316185}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}