DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nb6AlSi by Materials Project

Abstract

Nb6AlSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. There are a spread of Nb–Nb bond distances ranging from 2.55–3.17 Å. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. Both Nb–Nb bond lengths are 3.17 Å. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. Al is bonded to twelve Nb atoms to form AlNb12 cuboctahedra that share edges with six equivalent AlNb12 cuboctahedra and faces with eight equivalent SiNb12 cuboctahedra. Si is bonded to twelve Nb atoms to form SiNb12 cuboctahedra that share edges with six equivalent SiNb12 cuboctahedra and faces with eight equivalent AlNb12 cuboctahedra.

Publication Date:
Other Number(s):
mp-1220347
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; Nb6AlSi; Al-Nb-Si
OSTI Identifier:
1759553
DOI:
https://doi.org/10.17188/1759553

Citation Formats

The Materials Project. Materials Data on Nb6AlSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759553.
The Materials Project. Materials Data on Nb6AlSi by Materials Project. United States. doi:https://doi.org/10.17188/1759553
The Materials Project. 2020. "Materials Data on Nb6AlSi by Materials Project". United States. doi:https://doi.org/10.17188/1759553. https://www.osti.gov/servlets/purl/1759553. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759553,
title = {Materials Data on Nb6AlSi by Materials Project},
author = {The Materials Project},
abstractNote = {Nb6AlSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. There are a spread of Nb–Nb bond distances ranging from 2.55–3.17 Å. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. Both Nb–Nb bond lengths are 3.17 Å. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. Al is bonded to twelve Nb atoms to form AlNb12 cuboctahedra that share edges with six equivalent AlNb12 cuboctahedra and faces with eight equivalent SiNb12 cuboctahedra. Si is bonded to twelve Nb atoms to form SiNb12 cuboctahedra that share edges with six equivalent SiNb12 cuboctahedra and faces with eight equivalent AlNb12 cuboctahedra.},
doi = {10.17188/1759553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}