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Title: Materials Data on U(SiPt)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196381· OSTI ID:1196381

UPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.20 Å) and four longer (3.27 Å) U–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent U4+ and five Si atoms. There are one shorter (2.39 Å) and four longer (2.42 Å) Pt–Si bond lengths. In the second Pt2- site, Pt2- is bonded to four equivalent U4+ and four equivalent Si atoms to form a mixture of distorted edge and face-sharing PtU4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra. In the second Si site, Si is bonded in a 5-coordinate geometry to five 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:
1196381
Report Number(s):
mp-21101
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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