skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sm3Si11Pt23 by Materials Project

Abstract

Sm3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm2+ is bonded to eight equivalent Pt+1.83- atoms to form distorted corner-sharing SmPt8 cuboctahedra. All Sm–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.83- sites. In the first Pt+1.83- site, Pt+1.83- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.83- site, Pt+1.83- is bonded in a 5-coordinate geometry to two equivalent Sm2+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.47 Å. In the third Pt+1.83- site, Pt+1.83- is bonded to four Si+3.27+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt+1.83- site, Pt+1.83- is bonded to four Si+3.27+ atoms to form a mixture of distorted corner and edge-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 Pt+1.83- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eightmore » Pt+1.83- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt+1.83- atoms.« less

Publication Date:
Other Number(s):
mp-1194935
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; Sm3Si11Pt23; Pt-Si-Sm
OSTI Identifier:
1656369
DOI:
https://doi.org/10.17188/1656369

Citation Formats

The Materials Project. Materials Data on Sm3Si11Pt23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656369.
The Materials Project. Materials Data on Sm3Si11Pt23 by Materials Project. United States. doi:https://doi.org/10.17188/1656369
The Materials Project. 2020. "Materials Data on Sm3Si11Pt23 by Materials Project". United States. doi:https://doi.org/10.17188/1656369. https://www.osti.gov/servlets/purl/1656369. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1656369,
title = {Materials Data on Sm3Si11Pt23 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm2+ is bonded to eight equivalent Pt+1.83- atoms to form distorted corner-sharing SmPt8 cuboctahedra. All Sm–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.83- sites. In the first Pt+1.83- site, Pt+1.83- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.83- site, Pt+1.83- is bonded in a 5-coordinate geometry to two equivalent Sm2+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.47 Å. In the third Pt+1.83- site, Pt+1.83- is bonded to four Si+3.27+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt+1.83- site, Pt+1.83- is bonded to four Si+3.27+ atoms to form a mixture of distorted corner and edge-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 Pt+1.83- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eight Pt+1.83- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt+1.83- atoms.},
doi = {10.17188/1656369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}