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Title: Materials Data on Nb3Al2C by Materials Project

Abstract

Nb3Al2C crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Nb is bonded in a bent 150 degrees geometry to six equivalent Al and two equivalent C atoms. There are a spread of Nb–Al bond distances ranging from 2.94–3.04 Å. Both Nb–C bond lengths are 2.23 Å. Al is bonded to nine equivalent Nb and three equivalent Al atoms to form distorted AlNb9Al3 cuboctahedra that share corners with fifteen equivalent AlNb9Al3 cuboctahedra, edges with three equivalent CNb6 octahedra, faces with ten equivalent AlNb9Al3 cuboctahedra, and faces with four equivalent CNb6 octahedra. All Al–Al bond lengths are 2.64 Å. C is bonded to six equivalent Nb atoms to form distorted CNb6 octahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent AlNb9Al3 cuboctahedra, and faces with eight equivalent AlNb9Al3 cuboctahedra. The corner-sharing octahedral tilt angles are 24°.

Authors:
Publication Date:
Other Number(s):
mp-1190604
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; Nb3Al2C; Al-C-Nb
OSTI Identifier:
1684355
DOI:
https://doi.org/10.17188/1684355

Citation Formats

The Materials Project. Materials Data on Nb3Al2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684355.
The Materials Project. Materials Data on Nb3Al2C by Materials Project. United States. doi:https://doi.org/10.17188/1684355
The Materials Project. 2020. "Materials Data on Nb3Al2C by Materials Project". United States. doi:https://doi.org/10.17188/1684355. https://www.osti.gov/servlets/purl/1684355. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684355,
title = {Materials Data on Nb3Al2C by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3Al2C crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Nb is bonded in a bent 150 degrees geometry to six equivalent Al and two equivalent C atoms. There are a spread of Nb–Al bond distances ranging from 2.94–3.04 Å. Both Nb–C bond lengths are 2.23 Å. Al is bonded to nine equivalent Nb and three equivalent Al atoms to form distorted AlNb9Al3 cuboctahedra that share corners with fifteen equivalent AlNb9Al3 cuboctahedra, edges with three equivalent CNb6 octahedra, faces with ten equivalent AlNb9Al3 cuboctahedra, and faces with four equivalent CNb6 octahedra. All Al–Al bond lengths are 2.64 Å. C is bonded to six equivalent Nb atoms to form distorted CNb6 octahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent AlNb9Al3 cuboctahedra, and faces with eight equivalent AlNb9Al3 cuboctahedra. The corner-sharing octahedral tilt angles are 24°.},
doi = {10.17188/1684355},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}