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Title: Materials Data on Sm2Si3Pt by Materials Project

Abstract

Sm2PtSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to two equivalent Pt2- and ten Si+1.33- atoms to form a mixture of edge and face-sharing SmSi10Pt2 cuboctahedra. Both Sm–Pt bond lengths are 3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.11–3.18 Å. In the second Sm3+ site, Sm3+ is bonded to four equivalent Pt2- and eight Si+1.33- atoms to form a mixture of edge and face-sharing SmSi8Pt4 cuboctahedra. All Sm–Pt bond lengths are 3.18 Å. There are four shorter (3.11 Å) and four longer (3.17 Å) Sm–Si bond lengths. Pt2- is bonded in a distorted trigonal planar geometry to six Sm3+ and three Si+1.33- atoms. There are one shorter (2.37 Å) and two longer (2.40 Å) Pt–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six Sm3+ and three Si+1.33- atoms. There are one shorter (2.36 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to six Sm3+,more » two equivalent Pt2-, and one Si+1.33- atom. In the third Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to six Sm3+, one Pt2-, and two equivalent Si+1.33- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1219183
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; Sm2Si3Pt; Pt-Si-Sm
OSTI Identifier:
1663593
DOI:
https://doi.org/10.17188/1663593

Citation Formats

The Materials Project. Materials Data on Sm2Si3Pt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663593.
The Materials Project. Materials Data on Sm2Si3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1663593
The Materials Project. 2020. "Materials Data on Sm2Si3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1663593. https://www.osti.gov/servlets/purl/1663593. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1663593,
title = {Materials Data on Sm2Si3Pt by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2PtSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to two equivalent Pt2- and ten Si+1.33- atoms to form a mixture of edge and face-sharing SmSi10Pt2 cuboctahedra. Both Sm–Pt bond lengths are 3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.11–3.18 Å. In the second Sm3+ site, Sm3+ is bonded to four equivalent Pt2- and eight Si+1.33- atoms to form a mixture of edge and face-sharing SmSi8Pt4 cuboctahedra. All Sm–Pt bond lengths are 3.18 Å. There are four shorter (3.11 Å) and four longer (3.17 Å) Sm–Si bond lengths. Pt2- is bonded in a distorted trigonal planar geometry to six Sm3+ and three Si+1.33- atoms. There are one shorter (2.37 Å) and two longer (2.40 Å) Pt–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six Sm3+ and three Si+1.33- atoms. There are one shorter (2.36 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to six Sm3+, two equivalent Pt2-, and one Si+1.33- atom. In the third Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to six Sm3+, one Pt2-, and two equivalent Si+1.33- atoms.},
doi = {10.17188/1663593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}