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Title: Materials Data on UPt2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205210· OSTI ID:1205210

UPt2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to eleven Pt2- atoms. There are a spread of U–Pt bond distances ranging from 2.81–3.54 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent U4+ and six Pt2- atoms to form a mixture of distorted edge, face, and corner-sharing PtU6Pt6 cuboctahedra. There are two shorter (2.83 Å) and four longer (2.85 Å) Pt–Pt bond lengths. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five equivalent U4+ and four equivalent Pt2- 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:
1205210
Report Number(s):
mp-30854
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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