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Title: Materials Data on ZrAlPt by Materials Project

Abstract

ZrPtAl crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to five Pt and six equivalent Al atoms. There are a spread of Zr–Pt bond distances ranging from 2.82–2.89 Å. There are a spread of Zr–Al bond distances ranging from 3.04–3.18 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Al atoms. All Pt–Al bond lengths are 2.70 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Al atoms. All Pt–Al bond lengths are 2.60 Å. Al is bonded in a 4-coordinate geometry to six equivalent Zr and four Pt atoms.

Publication Date:
Other Number(s):
mp-567927
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; ZrAlPt; Al-Pt-Zr
OSTI Identifier:
1274133
DOI:
10.17188/1274133

Citation Formats

The Materials Project. Materials Data on ZrAlPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274133.
The Materials Project. Materials Data on ZrAlPt by Materials Project. United States. doi:10.17188/1274133.
The Materials Project. 2020. "Materials Data on ZrAlPt by Materials Project". United States. doi:10.17188/1274133. https://www.osti.gov/servlets/purl/1274133. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1274133,
title = {Materials Data on ZrAlPt by Materials Project},
author = {The Materials Project},
abstractNote = {ZrPtAl crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to five Pt and six equivalent Al atoms. There are a spread of Zr–Pt bond distances ranging from 2.82–2.89 Å. There are a spread of Zr–Al bond distances ranging from 3.04–3.18 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Al atoms. All Pt–Al bond lengths are 2.70 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Al atoms. All Pt–Al bond lengths are 2.60 Å. Al is bonded in a 4-coordinate geometry to six equivalent Zr and four Pt atoms.},
doi = {10.17188/1274133},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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