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Title: Materials Data on Ta5Al3C by Materials Project

Abstract

Ta5Al3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to five equivalent Al and two equivalent C atoms. There are a spread of Ta–Al bond distances ranging from 2.76–3.01 Å. Both Ta–C bond lengths are 2.25 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to two equivalent Ta and six equivalent Al atoms. Both Ta–Ta bond lengths are 2.68 Å. All Ta–Al bond lengths are 2.72 Å. Al is bonded in a 9-coordinate geometry to nine Ta atoms. C is bonded to six equivalent Ta atoms to form face-sharing CTa6 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1208344
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; Ta5Al3C; Al-C-Ta
OSTI Identifier:
1744191
DOI:
https://doi.org/10.17188/1744191

Citation Formats

The Materials Project. Materials Data on Ta5Al3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744191.
The Materials Project. Materials Data on Ta5Al3C by Materials Project. United States. doi:https://doi.org/10.17188/1744191
The Materials Project. 2020. "Materials Data on Ta5Al3C by Materials Project". United States. doi:https://doi.org/10.17188/1744191. https://www.osti.gov/servlets/purl/1744191. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744191,
title = {Materials Data on Ta5Al3C by Materials Project},
author = {The Materials Project},
abstractNote = {Ta5Al3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to five equivalent Al and two equivalent C atoms. There are a spread of Ta–Al bond distances ranging from 2.76–3.01 Å. Both Ta–C bond lengths are 2.25 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to two equivalent Ta and six equivalent Al atoms. Both Ta–Ta bond lengths are 2.68 Å. All Ta–Al bond lengths are 2.72 Å. Al is bonded in a 9-coordinate geometry to nine Ta atoms. C is bonded to six equivalent Ta atoms to form face-sharing CTa6 octahedra.},
doi = {10.17188/1744191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}