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Title: Materials Data on AlPt3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277538· OSTI ID:1277538

Pt3Al crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted rectangular see-saw-like geometry to four equivalent Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.81 Å. All Pt–Al bond lengths are 2.76 Å. In the second Pt site, Pt is bonded in a water-like geometry to four equivalent Al atoms. There are two shorter (2.56 Å) and two longer (3.13 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 2-coordinate geometry to eight Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.78 Å. There are two shorter (2.59 Å) and two longer (2.90 Å) Pt–Al bond lengths. Al is bonded in a 12-coordinate geometry to twelve Pt 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:
1277538
Report Number(s):
mp-607111
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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