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Title: Materials Data on Hf3Ga3Pd2Pt by Materials Project

Abstract

Hf3PtPd2Ga3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.86 Å. There are two shorter (2.78 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.77 Å. There are two shorter (2.86 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. Pt is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.69 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.59 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to threemore » equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.58 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.68 Å. Ga is bonded in a 10-coordinate geometry to six Hf, one Pt, and three Pd atoms.« less

Publication Date:
Other Number(s):
mp-1224422
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; Hf3Ga3Pd2Pt; Ga-Hf-Pd-Pt
OSTI Identifier:
1694526
DOI:
https://doi.org/10.17188/1694526

Citation Formats

The Materials Project. Materials Data on Hf3Ga3Pd2Pt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694526.
The Materials Project. Materials Data on Hf3Ga3Pd2Pt by Materials Project. United States. doi:https://doi.org/10.17188/1694526
The Materials Project. 2020. "Materials Data on Hf3Ga3Pd2Pt by Materials Project". United States. doi:https://doi.org/10.17188/1694526. https://www.osti.gov/servlets/purl/1694526. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1694526,
title = {Materials Data on Hf3Ga3Pd2Pt by Materials Project},
author = {The Materials Project},
abstractNote = {Hf3PtPd2Ga3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.86 Å. There are two shorter (2.78 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.77 Å. There are two shorter (2.86 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. Pt is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.69 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.59 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.58 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.68 Å. Ga is bonded in a 10-coordinate geometry to six Hf, one Pt, and three Pd atoms.},
doi = {10.17188/1694526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}