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Title: Materials Data on Yb3Tc by Materials Project

Abstract

Yb3Tc is alpha bismuth trifluoride 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 in a 4-coordinate geometry to four equivalent Yb and four equivalent Tc atoms. All Yb–Yb bond lengths are 3.21 Å. All Yb–Tc bond lengths are 3.21 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Tc atoms to form YbYb8Tc4 cuboctahedra that share corners with four equivalent YbYb8Tc4 cuboctahedra, corners with eight equivalent TcYb12 cuboctahedra, edges with eight equivalent YbYb8Tc4 cuboctahedra, faces with four equivalent YbYb8Tc4 cuboctahedra, and faces with six equivalent TcYb12 cuboctahedra. All Yb–Tc bond lengths are 3.42 Å. Tc is bonded to twelve Yb atoms to form TcYb12 cuboctahedra that share corners with four equivalent TcYb12 cuboctahedra, corners with eight equivalent YbYb8Tc4 cuboctahedra, edges with eight equivalent TcYb12 cuboctahedra, faces with four equivalent TcYb12 cuboctahedra, and faces with six equivalent YbYb8Tc4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-979938
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; Yb3Tc; Tc-Yb
OSTI Identifier:
1316174
DOI:
https://doi.org/10.17188/1316174

Citation Formats

The Materials Project. Materials Data on Yb3Tc by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316174.
The Materials Project. Materials Data on Yb3Tc by Materials Project. United States. doi:https://doi.org/10.17188/1316174
The Materials Project. 2020. "Materials Data on Yb3Tc by Materials Project". United States. doi:https://doi.org/10.17188/1316174. https://www.osti.gov/servlets/purl/1316174. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316174,
title = {Materials Data on Yb3Tc by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3Tc is alpha bismuth trifluoride 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 in a 4-coordinate geometry to four equivalent Yb and four equivalent Tc atoms. All Yb–Yb bond lengths are 3.21 Å. All Yb–Tc bond lengths are 3.21 Å. In the second Yb site, Yb is bonded to eight equivalent Yb and four equivalent Tc atoms to form YbYb8Tc4 cuboctahedra that share corners with four equivalent YbYb8Tc4 cuboctahedra, corners with eight equivalent TcYb12 cuboctahedra, edges with eight equivalent YbYb8Tc4 cuboctahedra, faces with four equivalent YbYb8Tc4 cuboctahedra, and faces with six equivalent TcYb12 cuboctahedra. All Yb–Tc bond lengths are 3.42 Å. Tc is bonded to twelve Yb atoms to form TcYb12 cuboctahedra that share corners with four equivalent TcYb12 cuboctahedra, corners with eight equivalent YbYb8Tc4 cuboctahedra, edges with eight equivalent TcYb12 cuboctahedra, faces with four equivalent TcYb12 cuboctahedra, and faces with six equivalent YbYb8Tc4 cuboctahedra.},
doi = {10.17188/1316174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}