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Title: Materials Data on U3Si11Pt23 by Materials Project

Abstract

U3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U+3.33+ is bonded in a 8-coordinate geometry to four equivalent U+3.33+ and four equivalent Pt2- atoms. All U–U bond lengths are 2.82 Å. All U–Pt bond lengths are 3.08 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 3-coordinate geometry to one U+3.33+, two equivalent Pt2-, and three Si+3.27+ atoms. Both Pt–Pt bond lengths are 3.19 Å. There are a spread of Pt–Si bond distances ranging from 2.43–2.48 Å. In the second Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.28 Å) and three longer (2.51 Å) Pt–Si bond lengths. In the third Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.45 Å) and three longer (2.49 Å) Pt–Si bond lengths. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a distorted tetrahedral geometry tomore » four Pt2- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.« less

Publication Date:
Other Number(s):
mp-569093
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; U3Si11Pt23; Pt-Si-U
OSTI Identifier:
1274929
DOI:
10.17188/1274929

Citation Formats

The Materials Project. Materials Data on U3Si11Pt23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274929.
The Materials Project. Materials Data on U3Si11Pt23 by Materials Project. United States. doi:10.17188/1274929.
The Materials Project. 2020. "Materials Data on U3Si11Pt23 by Materials Project". United States. doi:10.17188/1274929. https://www.osti.gov/servlets/purl/1274929. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274929,
title = {Materials Data on U3Si11Pt23 by Materials Project},
author = {The Materials Project},
abstractNote = {U3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U+3.33+ is bonded in a 8-coordinate geometry to four equivalent U+3.33+ and four equivalent Pt2- atoms. All U–U bond lengths are 2.82 Å. All U–Pt bond lengths are 3.08 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 3-coordinate geometry to one U+3.33+, two equivalent Pt2-, and three Si+3.27+ atoms. Both Pt–Pt bond lengths are 3.19 Å. There are a spread of Pt–Si bond distances ranging from 2.43–2.48 Å. In the second Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.28 Å) and three longer (2.51 Å) Pt–Si bond lengths. In the third Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.45 Å) and three longer (2.49 Å) Pt–Si bond lengths. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a distorted tetrahedral geometry to four Pt2- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.},
doi = {10.17188/1274929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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