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Title: Materials Data on Al3Pt2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275339· OSTI ID:1275339

Al3Pt2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.83 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–2.75 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to five Pt and three equivalent Al atoms. All Al–Al bond lengths are 2.67 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to six equivalent Pt atoms. In the third Al site, Al is bonded in a distorted body-centered cubic geometry to six equivalent Pt and two equivalent Al atoms. Both Al–Al bond lengths are 2.52 Å. In the fourth Al site, Al is bonded in a 11-coordinate geometry to three equivalent Pt and four Al atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1275339
Report Number(s):
mp-569916
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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