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Title: Materials Data on BaAl9Ni2 by Materials Project

Abstract

BaNi2Al9 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Al atoms to form face-sharing BaAl12 cuboctahedra. All Ba–Al bond lengths are 3.55 Å. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are three shorter (2.30 Å) and six longer (2.58 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Ni and eight equivalent Al atoms. All Al–Al bond lengths are 2.86 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ba, two equivalent Ni, and eight Al atoms. There are two shorter (2.86 Å) and two longer (2.95 Å) Al–Al bond lengths.

Publication Date:
Other Number(s):
mp-12549
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; BaAl9Ni2; Al-Ba-Ni
OSTI Identifier:
1188973
DOI:
https://doi.org/10.17188/1188973

Citation Formats

The Materials Project. Materials Data on BaAl9Ni2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188973.
The Materials Project. Materials Data on BaAl9Ni2 by Materials Project. United States. doi:https://doi.org/10.17188/1188973
The Materials Project. 2020. "Materials Data on BaAl9Ni2 by Materials Project". United States. doi:https://doi.org/10.17188/1188973. https://www.osti.gov/servlets/purl/1188973. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188973,
title = {Materials Data on BaAl9Ni2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaNi2Al9 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Al atoms to form face-sharing BaAl12 cuboctahedra. All Ba–Al bond lengths are 3.55 Å. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are three shorter (2.30 Å) and six longer (2.58 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Ni and eight equivalent Al atoms. All Al–Al bond lengths are 2.86 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ba, two equivalent Ni, and eight Al atoms. There are two shorter (2.86 Å) and two longer (2.95 Å) Al–Al bond lengths.},
doi = {10.17188/1188973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}