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Title: Materials Data on SmSiPt3 by Materials Project

Abstract

SmPt3Si is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing SmPt12 cuboctahedra. There are a spread of Sm–Pt bond distances ranging from 2.98–3.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Si4+ atoms. Both Pt–Si bond lengths are 2.40 Å. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to four equivalent Sm2+ and one Si4+ atom. The Pt–Si bond length is 2.29 Å. Si4+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

Publication Date:
Other Number(s):
mp-1207210
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; SmSiPt3; Pt-Si-Sm
OSTI Identifier:
1685578
DOI:
https://doi.org/10.17188/1685578

Citation Formats

The Materials Project. Materials Data on SmSiPt3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685578.
The Materials Project. Materials Data on SmSiPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1685578
The Materials Project. 2019. "Materials Data on SmSiPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1685578. https://www.osti.gov/servlets/purl/1685578. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685578,
title = {Materials Data on SmSiPt3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmPt3Si is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Sm2+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing SmPt12 cuboctahedra. There are a spread of Sm–Pt bond distances ranging from 2.98–3.49 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm2+ and two equivalent Si4+ atoms. Both Pt–Si bond lengths are 2.40 Å. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to four equivalent Sm2+ and one Si4+ atom. The Pt–Si bond length is 2.29 Å. Si4+ is bonded in a 5-coordinate geometry to five Pt2- atoms.},
doi = {10.17188/1685578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}