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Title: Materials Data on Fe2PtRh by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1696581· OSTI ID:1696581

Fe2RhPt is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to four equivalent Fe, four equivalent Rh, and four equivalent Pt atoms to form distorted FeFe4Pt4Rh4 cuboctahedra that share corners with twelve equivalent FeFe4Pt4Rh4 cuboctahedra, edges with eight equivalent FeFe4Pt4Rh4 cuboctahedra, edges with eight equivalent RhFe8Rh4 cuboctahedra, edges with eight equivalent PtFe8Pt4 cuboctahedra, faces with four equivalent RhFe8Rh4 cuboctahedra, faces with four equivalent PtFe8Pt4 cuboctahedra, and faces with ten equivalent FeFe4Pt4Rh4 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å. All Fe–Rh bond lengths are 2.59 Å. All Fe–Pt bond lengths are 2.65 Å. Rh is bonded to eight equivalent Fe and four equivalent Rh atoms to form distorted RhFe8Rh4 cuboctahedra that share corners with four equivalent RhFe8Rh4 cuboctahedra, corners with eight equivalent PtFe8Pt4 cuboctahedra, edges with eight equivalent PtFe8Pt4 cuboctahedra, edges with sixteen equivalent FeFe4Pt4Rh4 cuboctahedra, faces with two equivalent PtFe8Pt4 cuboctahedra, faces with eight equivalent FeFe4Pt4Rh4 cuboctahedra, and faces with eight equivalent RhFe8Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.64 Å. Pt is bonded to eight equivalent Fe and four equivalent Pt atoms to form distorted PtFe8Pt4 cuboctahedra that share corners with four equivalent PtFe8Pt4 cuboctahedra, corners with eight equivalent RhFe8Rh4 cuboctahedra, edges with eight equivalent RhFe8Rh4 cuboctahedra, edges with sixteen equivalent FeFe4Pt4Rh4 cuboctahedra, faces with two equivalent RhFe8Rh4 cuboctahedra, faces with eight equivalent FeFe4Pt4Rh4 cuboctahedra, and faces with eight equivalent PtFe8Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.64 Å.

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:
1696581
Report Number(s):
mp-1224702
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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