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Title: Materials Data on Al6Tc by Materials Project

Abstract

TcAl6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tc is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Tc–Al bond distances ranging from 2.52–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.96 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and eight Al atoms. All Al–Al bond lengths are 2.97 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one Tc and ten Al atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Al–Al bond lengths.

Publication Date:
Other Number(s):
mp-16718
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; Al6Tc; Al-Tc
OSTI Identifier:
1192115
DOI:
https://doi.org/10.17188/1192115

Citation Formats

The Materials Project. Materials Data on Al6Tc by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192115.
The Materials Project. Materials Data on Al6Tc by Materials Project. United States. doi:https://doi.org/10.17188/1192115
The Materials Project. 2020. "Materials Data on Al6Tc by Materials Project". United States. doi:https://doi.org/10.17188/1192115. https://www.osti.gov/servlets/purl/1192115. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192115,
title = {Materials Data on Al6Tc by Materials Project},
author = {The Materials Project},
abstractNote = {TcAl6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tc is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Tc–Al bond distances ranging from 2.52–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.96 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and eight Al atoms. All Al–Al bond lengths are 2.97 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one Tc and ten Al atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Al–Al bond lengths.},
doi = {10.17188/1192115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}