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Title: Materials Data on Tb6Al3Si by Materials Project

Abstract

Tb6Al3Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to four Al and two Si atoms. There are a spread of Tb–Al bond distances ranging from 3.04–3.35 Å. There are one shorter (2.98 Å) and one longer (3.16 Å) Tb–Si bond lengths. In the second Tb site, Tb is bonded to five Al atoms to form a mixture of distorted edge and corner-sharing TbAl5 trigonal bipyramids. There are a spread of Tb–Al bond distances ranging from 3.14–3.48 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Tb–Al bond distances ranging from 3.01–3.70 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Tb atoms. In the second Al site, Al is bonded in a 10-coordinate geometry to nine Tb and one Al atom. The Al–Al bond length is 2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Inmore » the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Tb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-17652
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; Tb6Al3Si; Al-Si-Tb
OSTI Identifier:
1192607
DOI:
https://doi.org/10.17188/1192607

Citation Formats

The Materials Project. Materials Data on Tb6Al3Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192607.
The Materials Project. Materials Data on Tb6Al3Si by Materials Project. United States. doi:https://doi.org/10.17188/1192607
The Materials Project. 2020. "Materials Data on Tb6Al3Si by Materials Project". United States. doi:https://doi.org/10.17188/1192607. https://www.osti.gov/servlets/purl/1192607. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192607,
title = {Materials Data on Tb6Al3Si by Materials Project},
author = {The Materials Project},
abstractNote = {Tb6Al3Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to four Al and two Si atoms. There are a spread of Tb–Al bond distances ranging from 3.04–3.35 Å. There are one shorter (2.98 Å) and one longer (3.16 Å) Tb–Si bond lengths. In the second Tb site, Tb is bonded to five Al atoms to form a mixture of distorted edge and corner-sharing TbAl5 trigonal bipyramids. There are a spread of Tb–Al bond distances ranging from 3.14–3.48 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to six Al atoms. There are a spread of Tb–Al bond distances ranging from 3.01–3.70 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to nine Tb atoms. In the second Al site, Al is bonded in a 10-coordinate geometry to nine Tb and one Al atom. The Al–Al bond length is 2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. In the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Tb atoms.},
doi = {10.17188/1192607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}