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Title: Materials Data on Pr3Si11Pt23 by Materials Project

Abstract

Pr3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr+3.33+ is bonded to eight equivalent Pt2- atoms to form distorted corner-sharing PrPt8 cuboctahedra. All Pr–Pt bond lengths are 3.17 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.59 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Pr+3.33+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–2.47 Å. In the third 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 (2.44 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.52 Å. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eightmore » Pt2- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1198014
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; Pr3Si11Pt23; Pr-Pt-Si
OSTI Identifier:
1751506
DOI:
https://doi.org/10.17188/1751506

Citation Formats

The Materials Project. Materials Data on Pr3Si11Pt23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751506.
The Materials Project. Materials Data on Pr3Si11Pt23 by Materials Project. United States. doi:https://doi.org/10.17188/1751506
The Materials Project. 2020. "Materials Data on Pr3Si11Pt23 by Materials Project". United States. doi:https://doi.org/10.17188/1751506. https://www.osti.gov/servlets/purl/1751506. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1751506,
title = {Materials Data on Pr3Si11Pt23 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr+3.33+ is bonded to eight equivalent Pt2- atoms to form distorted corner-sharing PrPt8 cuboctahedra. All Pr–Pt bond lengths are 3.17 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.59 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Pr+3.33+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–2.47 Å. In the third 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 (2.44 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.52 Å. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven 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 = {10.17188/1751506},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}