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Title: Materials Data on Fe3Pt by Materials Project

Abstract

Fe3Pt is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Pt atoms to form distorted FeFe8Pt4 cuboctahedra that share corners with twelve equivalent FeFe8Pt4 cuboctahedra, edges with eight equivalent PtFe12 cuboctahedra, edges with sixteen FeFe8Pt4 cuboctahedra, faces with four equivalent PtFe12 cuboctahedra, and faces with fourteen FeFe8Pt4 cuboctahedra. There are four shorter (2.62 Å) and four longer (2.71 Å) Fe–Fe bond lengths. All Fe–Pt bond lengths are 2.62 Å. In the second Fe site, Fe is bonded to eight equivalent Fe and four equivalent Pt atoms to form FeFe8Pt4 cuboctahedra that share corners with twelve equivalent FeFe8Pt4 cuboctahedra, edges with eight equivalent PtFe12 cuboctahedra, edges with sixteen equivalent FeFe8Pt4 cuboctahedra, faces with four equivalent PtFe12 cuboctahedra, and faces with fourteen FeFe8Pt4 cuboctahedra. All Fe–Pt bond lengths are 2.71 Å. Pt is bonded to twelve Fe atoms to form PtFe12 cuboctahedra that share corners with twelve equivalent PtFe12 cuboctahedra, edges with twenty-four FeFe8Pt4 cuboctahedra, faces with six equivalent PtFe12 cuboctahedra, and faces with twelve FeFe8Pt4 cuboctahedra.

Publication Date:
Other Number(s):
mp-11798
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; Fe3Pt; Fe-Pt
OSTI Identifier:
1188384
DOI:
https://doi.org/10.17188/1188384

Citation Formats

The Materials Project. Materials Data on Fe3Pt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188384.
The Materials Project. Materials Data on Fe3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1188384
The Materials Project. 2020. "Materials Data on Fe3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1188384. https://www.osti.gov/servlets/purl/1188384. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1188384,
title = {Materials Data on Fe3Pt by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Pt is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Pt atoms to form distorted FeFe8Pt4 cuboctahedra that share corners with twelve equivalent FeFe8Pt4 cuboctahedra, edges with eight equivalent PtFe12 cuboctahedra, edges with sixteen FeFe8Pt4 cuboctahedra, faces with four equivalent PtFe12 cuboctahedra, and faces with fourteen FeFe8Pt4 cuboctahedra. There are four shorter (2.62 Å) and four longer (2.71 Å) Fe–Fe bond lengths. All Fe–Pt bond lengths are 2.62 Å. In the second Fe site, Fe is bonded to eight equivalent Fe and four equivalent Pt atoms to form FeFe8Pt4 cuboctahedra that share corners with twelve equivalent FeFe8Pt4 cuboctahedra, edges with eight equivalent PtFe12 cuboctahedra, edges with sixteen equivalent FeFe8Pt4 cuboctahedra, faces with four equivalent PtFe12 cuboctahedra, and faces with fourteen FeFe8Pt4 cuboctahedra. All Fe–Pt bond lengths are 2.71 Å. Pt is bonded to twelve Fe atoms to form PtFe12 cuboctahedra that share corners with twelve equivalent PtFe12 cuboctahedra, edges with twenty-four FeFe8Pt4 cuboctahedra, faces with six equivalent PtFe12 cuboctahedra, and faces with twelve FeFe8Pt4 cuboctahedra.},
doi = {10.17188/1188384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}