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Title: Materials Data on SmSi3Pt by Materials Project

Abstract

SmPtSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 3.13–3.33 Å. Pt2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Pt2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm2+ and one Pt2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1207214
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; SmSi3Pt; Pt-Si-Sm
OSTI Identifier:
1672427
DOI:
https://doi.org/10.17188/1672427

Citation Formats

The Materials Project. Materials Data on SmSi3Pt by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672427.
The Materials Project. Materials Data on SmSi3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1672427
The Materials Project. 2019. "Materials Data on SmSi3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1672427. https://www.osti.gov/servlets/purl/1672427. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672427,
title = {Materials Data on SmSi3Pt by Materials Project},
author = {The Materials Project},
abstractNote = {SmPtSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 3.13–3.33 Å. Pt2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Pt2+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm2+ and one Pt2+ atom.},
doi = {10.17188/1672427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}