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Title: Materials Data on HfPd3 by Materials Project

Abstract

Pd3Hf is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. All Hf–Pd bond lengths are 2.84 Å. In the second Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.86 Å) Hf–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Hf atoms. In the second Pd site, Pd is bonded in a distorted see-saw-like geometry to four Hf atoms.

Publication Date:
Other Number(s):
mp-11453
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; HfPd3; Hf-Pd
OSTI Identifier:
1187842
DOI:
https://doi.org/10.17188/1187842

Citation Formats

The Materials Project. Materials Data on HfPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187842.
The Materials Project. Materials Data on HfPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1187842
The Materials Project. 2020. "Materials Data on HfPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1187842. https://www.osti.gov/servlets/purl/1187842. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1187842,
title = {Materials Data on HfPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3Hf is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. All Hf–Pd bond lengths are 2.84 Å. In the second Hf site, Hf is bonded to twelve Pd atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.86 Å) Hf–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Hf atoms. In the second Pd site, Pd is bonded in a distorted see-saw-like geometry to four Hf atoms.},
doi = {10.17188/1187842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}