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Title: Materials Data on Ta3AlC2 by Materials Project

Abstract

Ta3AlC2 is MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Ta–Al bond lengths are 2.86 Å. All Ta–C bond lengths are 2.20 Å. In the second Ta site, Ta is bonded to six equivalent C atoms to form edge-sharing TaC6 octahedra. All Ta–C bond lengths are 2.22 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ta atoms. C is bonded to six Ta atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-569568
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; Ta3AlC2; Al-C-Ta
OSTI Identifier:
1275159
DOI:
10.17188/1275159

Citation Formats

The Materials Project. Materials Data on Ta3AlC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275159.
The Materials Project. Materials Data on Ta3AlC2 by Materials Project. United States. doi:10.17188/1275159.
The Materials Project. 2020. "Materials Data on Ta3AlC2 by Materials Project". United States. doi:10.17188/1275159. https://www.osti.gov/servlets/purl/1275159. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275159,
title = {Materials Data on Ta3AlC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta3AlC2 is MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Ta–Al bond lengths are 2.86 Å. All Ta–C bond lengths are 2.20 Å. In the second Ta site, Ta is bonded to six equivalent C atoms to form edge-sharing TaC6 octahedra. All Ta–C bond lengths are 2.22 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ta atoms. C is bonded to six Ta atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1275159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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