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Title: Materials Data on Hf2Al3Pd by Materials Project

Abstract

Hf2PdAl3 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, three equivalent Pd, and nine equivalent Al atoms. There are one shorter (3.04 Å) and three longer (3.28 Å) Hf–Hf bond lengths. All Hf–Pd bond lengths are 3.13 Å. There are three shorter (3.05 Å) and six longer (3.07 Å) Hf–Al bond lengths. Pd is bonded to six equivalent Hf and six equivalent Al atoms to form a mixture of edge and face-sharing PdHf6Al6 cuboctahedra. All Pd–Al bond lengths are 2.61 Å. Al is bonded in a distorted water-like geometry to six equivalent Hf and two equivalent Pd atoms.

Publication Date:
Other Number(s):
mp-1223870
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; Hf2Al3Pd; Al-Hf-Pd
OSTI Identifier:
1677073
DOI:
https://doi.org/10.17188/1677073

Citation Formats

The Materials Project. Materials Data on Hf2Al3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677073.
The Materials Project. Materials Data on Hf2Al3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1677073
The Materials Project. 2020. "Materials Data on Hf2Al3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1677073. https://www.osti.gov/servlets/purl/1677073. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677073,
title = {Materials Data on Hf2Al3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2PdAl3 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, three equivalent Pd, and nine equivalent Al atoms. There are one shorter (3.04 Å) and three longer (3.28 Å) Hf–Hf bond lengths. All Hf–Pd bond lengths are 3.13 Å. There are three shorter (3.05 Å) and six longer (3.07 Å) Hf–Al bond lengths. Pd is bonded to six equivalent Hf and six equivalent Al atoms to form a mixture of edge and face-sharing PdHf6Al6 cuboctahedra. All Pd–Al bond lengths are 2.61 Å. Al is bonded in a distorted water-like geometry to six equivalent Hf and two equivalent Pd atoms.},
doi = {10.17188/1677073},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}