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Title: Materials Data on Hf3Al by Materials Project

Abstract

Hf3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to eight equivalent Hf and four equivalent Al atoms to form distorted HfHf8Al4 cuboctahedra that share corners with four equivalent AlHf12 cuboctahedra, corners with fourteen equivalent HfHf8Al4 cuboctahedra, edges with six equivalent AlHf12 cuboctahedra, edges with twelve equivalent HfHf8Al4 cuboctahedra, faces with four equivalent AlHf12 cuboctahedra, and faces with sixteen equivalent HfHf8Al4 cuboctahedra. There are a spread of Hf–Hf bond distances ranging from 3.02–3.13 Å. There are two shorter (3.05 Å) and two longer (3.08 Å) Hf–Al bond lengths. Al is bonded to twelve equivalent Hf atoms to form AlHf12 cuboctahedra that share corners with six equivalent AlHf12 cuboctahedra, corners with twelve equivalent HfHf8Al4 cuboctahedra, edges with eighteen equivalent HfHf8Al4 cuboctahedra, faces with eight equivalent AlHf12 cuboctahedra, and faces with twelve equivalent HfHf8Al4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1184670
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; Hf3Al; Al-Hf
OSTI Identifier:
1656118
DOI:
https://doi.org/10.17188/1656118

Citation Formats

The Materials Project. Materials Data on Hf3Al by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656118.
The Materials Project. Materials Data on Hf3Al by Materials Project. United States. doi:https://doi.org/10.17188/1656118
The Materials Project. 2020. "Materials Data on Hf3Al by Materials Project". United States. doi:https://doi.org/10.17188/1656118. https://www.osti.gov/servlets/purl/1656118. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1656118,
title = {Materials Data on Hf3Al by Materials Project},
author = {The Materials Project},
abstractNote = {Hf3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to eight equivalent Hf and four equivalent Al atoms to form distorted HfHf8Al4 cuboctahedra that share corners with four equivalent AlHf12 cuboctahedra, corners with fourteen equivalent HfHf8Al4 cuboctahedra, edges with six equivalent AlHf12 cuboctahedra, edges with twelve equivalent HfHf8Al4 cuboctahedra, faces with four equivalent AlHf12 cuboctahedra, and faces with sixteen equivalent HfHf8Al4 cuboctahedra. There are a spread of Hf–Hf bond distances ranging from 3.02–3.13 Å. There are two shorter (3.05 Å) and two longer (3.08 Å) Hf–Al bond lengths. Al is bonded to twelve equivalent Hf atoms to form AlHf12 cuboctahedra that share corners with six equivalent AlHf12 cuboctahedra, corners with twelve equivalent HfHf8Al4 cuboctahedra, edges with eighteen equivalent HfHf8Al4 cuboctahedra, faces with eight equivalent AlHf12 cuboctahedra, and faces with twelve equivalent HfHf8Al4 cuboctahedra.},
doi = {10.17188/1656118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}