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

Title: Materials Data on HfAl2 by Materials Project

Abstract

HfAl2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve Al atoms. There are three shorter (3.23 Å) and one longer (3.25 Å) Hf–Hf bond lengths. There are a spread of Hf–Al bond distances ranging from 3.08–3.11 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Hf and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. All Al–Al bond lengths are 2.68 Å. In the second Al site, Al is bonded to six equivalent Hf and six Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.69 Å) Al–Al bond lengths.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-12657
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; HfAl2; Al-Hf
OSTI Identifier:
1182268
DOI:
10.17188/1182268

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HfAl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1182268.
Persson, Kristin, & Project, Materials. Materials Data on HfAl2 by Materials Project. United States. doi:10.17188/1182268.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HfAl2 by Materials Project". United States. doi:10.17188/1182268. https://www.osti.gov/servlets/purl/1182268. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1182268,
title = {Materials Data on HfAl2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HfAl2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve Al atoms. There are three shorter (3.23 Å) and one longer (3.25 Å) Hf–Hf bond lengths. There are a spread of Hf–Al bond distances ranging from 3.08–3.11 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Hf and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. All Al–Al bond lengths are 2.68 Å. In the second Al site, Al is bonded to six equivalent Hf and six Al atoms to form a mixture of edge, face, and corner-sharing AlHf6Al6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.69 Å) Al–Al bond lengths.},
doi = {10.17188/1182268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: