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Title: Materials Data on Al21Pt5 by Materials Project

Abstract

Al21Pt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to eleven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–3.14 Å. In the second Pt site, Pt is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Pt–Al bond distances ranging from 2.64–2.97 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to thirteen Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–3.16 Å. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to thirteen Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–3.14 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to four Pt and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.81 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to three Pt and four Al atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Al–Al bond lengths.more » In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pt and nine Al atoms. There are three shorter (2.81 Å) and three longer (2.98 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two Pt and three Al atoms. There are one shorter (2.84 Å) and one longer (3.02 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a trigonal non-coplanar geometry to three equivalent Pt and three equivalent Al atoms. In the sixth Al site, Al is bonded in a 2-coordinate geometry to three Pt and ten Al atoms. There are two shorter (2.71 Å) and four longer (2.98 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pt and nine Al atoms. There are three shorter (2.79 Å) and three longer (2.82 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a trigonal planar geometry to three equivalent Pt and three equivalent Al atoms. In the ninth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt and three equivalent Al atoms. In the tenth Al site, Al is bonded in a 1-coordinate geometry to two Pt and five Al atoms. The Al–Al bond length is 2.77 Å. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to four Pt and three equivalent Al atoms. In the twelfth Al site, Al is bonded in a 9-coordinate geometry to three Pt and six Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1215027
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; Al21Pt5; Al-Pt
OSTI Identifier:
1732387
DOI:
https://doi.org/10.17188/1732387

Citation Formats

The Materials Project. Materials Data on Al21Pt5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732387.
The Materials Project. Materials Data on Al21Pt5 by Materials Project. United States. doi:https://doi.org/10.17188/1732387
The Materials Project. 2020. "Materials Data on Al21Pt5 by Materials Project". United States. doi:https://doi.org/10.17188/1732387. https://www.osti.gov/servlets/purl/1732387. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1732387,
title = {Materials Data on Al21Pt5 by Materials Project},
author = {The Materials Project},
abstractNote = {Al21Pt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to eleven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–3.14 Å. In the second Pt site, Pt is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Pt–Al bond distances ranging from 2.64–2.97 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to thirteen Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–3.16 Å. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to thirteen Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–3.14 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to four Pt and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.81 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to three Pt and four Al atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pt and nine Al atoms. There are three shorter (2.81 Å) and three longer (2.98 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two Pt and three Al atoms. There are one shorter (2.84 Å) and one longer (3.02 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a trigonal non-coplanar geometry to three equivalent Pt and three equivalent Al atoms. In the sixth Al site, Al is bonded in a 2-coordinate geometry to three Pt and ten Al atoms. There are two shorter (2.71 Å) and four longer (2.98 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pt and nine Al atoms. There are three shorter (2.79 Å) and three longer (2.82 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a trigonal planar geometry to three equivalent Pt and three equivalent Al atoms. In the ninth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt and three equivalent Al atoms. In the tenth Al site, Al is bonded in a 1-coordinate geometry to two Pt and five Al atoms. The Al–Al bond length is 2.77 Å. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to four Pt and three equivalent Al atoms. In the twelfth Al site, Al is bonded in a 9-coordinate geometry to three Pt and six Al atoms.},
doi = {10.17188/1732387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}