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Title: Materials Data on AlPt2 by Materials Project

Abstract

AlPt2 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to five Al atoms. There are a spread of Pt–Al bond distances ranging from 2.60–2.89 Å. In the second Pt site, Pt is bonded in a distorted square co-planar geometry to four Al atoms. There are two shorter (2.71 Å) and two longer (2.74 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–2.87 Å. In the fourth Pt site, Pt is bonded in a 12-coordinate geometry to six Al atoms. There are four shorter (2.70 Å) and two longer (2.76 Å) Pt–Al bond lengths. In the fifth Pt site, Pt is bonded in a 12-coordinate geometry to six Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.99 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve Pt atoms to form a mixture of corner and face-sharing AlPt12 cuboctahedra. In the second Al site, Al is bondedmore » in a 10-coordinate geometry to ten Pt atoms. In the third Al site, Al is bonded in a distorted body-centered cubic geometry to eight Pt atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-16960
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AlPt2; Al-Pt
OSTI Identifier:
1192254
DOI:
https://doi.org/10.17188/1192254

Citation Formats

The Materials Project. Materials Data on AlPt2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192254.
The Materials Project. Materials Data on AlPt2 by Materials Project. United States. doi:https://doi.org/10.17188/1192254
The Materials Project. 2020. "Materials Data on AlPt2 by Materials Project". United States. doi:https://doi.org/10.17188/1192254. https://www.osti.gov/servlets/purl/1192254. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1192254,
title = {Materials Data on AlPt2 by Materials Project},
author = {The Materials Project},
abstractNote = {AlPt2 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to five Al atoms. There are a spread of Pt–Al bond distances ranging from 2.60–2.89 Å. In the second Pt site, Pt is bonded in a distorted square co-planar geometry to four Al atoms. There are two shorter (2.71 Å) and two longer (2.74 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–2.87 Å. In the fourth Pt site, Pt is bonded in a 12-coordinate geometry to six Al atoms. There are four shorter (2.70 Å) and two longer (2.76 Å) Pt–Al bond lengths. In the fifth Pt site, Pt is bonded in a 12-coordinate geometry to six Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.99 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve Pt atoms to form a mixture of corner and face-sharing AlPt12 cuboctahedra. In the second Al site, Al is bonded in a 10-coordinate geometry to ten Pt atoms. In the third Al site, Al is bonded in a distorted body-centered cubic geometry to eight Pt atoms.},
doi = {10.17188/1192254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}