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Title: Materials Data on U6Si19Pt30 by Materials Project

Abstract

U6Pt30Si19 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. U4+ is bonded in a 6-coordinate geometry to six Pt2- atoms. There are a spread of U–Pt bond distances ranging from 3.09–3.13 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.67 Å. In the second Pt2- site, Pt2- is bonded to four Si+1.89+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.43–2.57 Å. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.67 Å. In the fourth Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.64 Å. In the fifth Pt2- site, Pt2- is bonded in a 4-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.60 Å.more » There are four inequivalent Si+1.89+ sites. In the first Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+1.89+ site, Si+1.89+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the fourth Si+1.89+ site, Si+1.89+ is bonded in a distorted octahedral geometry to six equivalent Pt2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1217537
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; U6Si19Pt30; Pt-Si-U
OSTI Identifier:
1740356
DOI:
https://doi.org/10.17188/1740356

Citation Formats

The Materials Project. Materials Data on U6Si19Pt30 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740356.
The Materials Project. Materials Data on U6Si19Pt30 by Materials Project. United States. doi:https://doi.org/10.17188/1740356
The Materials Project. 2020. "Materials Data on U6Si19Pt30 by Materials Project". United States. doi:https://doi.org/10.17188/1740356. https://www.osti.gov/servlets/purl/1740356. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740356,
title = {Materials Data on U6Si19Pt30 by Materials Project},
author = {The Materials Project},
abstractNote = {U6Pt30Si19 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. U4+ is bonded in a 6-coordinate geometry to six Pt2- atoms. There are a spread of U–Pt bond distances ranging from 3.09–3.13 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.67 Å. In the second Pt2- site, Pt2- is bonded to four Si+1.89+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.43–2.57 Å. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.67 Å. In the fourth Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.64 Å. In the fifth Pt2- site, Pt2- is bonded in a 4-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.60 Å. There are four inequivalent Si+1.89+ sites. In the first Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+1.89+ site, Si+1.89+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the fourth Si+1.89+ site, Si+1.89+ is bonded in a distorted octahedral geometry to six equivalent Pt2- atoms.},
doi = {10.17188/1740356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}