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Title: Materials Data on Er(SiPt)2 by Materials Project

Abstract

ErPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.19 Å) and four longer (3.27 Å) Er–Pt bond lengths. There are four shorter (3.17 Å) and four longer (3.22 Å) Er–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Er and four equivalent Si atoms to form distorted PtEr4Si4 tetrahedra that share corners with twelve equivalent SiEr4Pt4 tetrahedra, edges with two equivalent SiEr4Pt4 tetrahedra, edges with four equivalent PtEr4Si4 tetrahedra, and faces with four equivalent PtEr4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Er and five Si atoms. There are one shorter (2.37 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Er and four equivalent Pt atoms to form distorted SiEr4Pt4 tetrahedra that share corners with twelve equivalent PtEr4Si4 tetrahedra, edges with two equivalent PtEr4Si4 tetrahedra, edges with four equivalent SiEr4Pt4 tetrahedra, and facesmore » with four equivalent SiEr4Pt4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Er and five Pt atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1079518
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; Er(SiPt)2; Er-Pt-Si
OSTI Identifier:
1732411
DOI:
https://doi.org/10.17188/1732411

Citation Formats

The Materials Project. Materials Data on Er(SiPt)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732411.
The Materials Project. Materials Data on Er(SiPt)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732411
The Materials Project. 2020. "Materials Data on Er(SiPt)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732411. https://www.osti.gov/servlets/purl/1732411. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732411,
title = {Materials Data on Er(SiPt)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.19 Å) and four longer (3.27 Å) Er–Pt bond lengths. There are four shorter (3.17 Å) and four longer (3.22 Å) Er–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Er and four equivalent Si atoms to form distorted PtEr4Si4 tetrahedra that share corners with twelve equivalent SiEr4Pt4 tetrahedra, edges with two equivalent SiEr4Pt4 tetrahedra, edges with four equivalent PtEr4Si4 tetrahedra, and faces with four equivalent PtEr4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Er and five Si atoms. There are one shorter (2.37 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Er and four equivalent Pt atoms to form distorted SiEr4Pt4 tetrahedra that share corners with twelve equivalent PtEr4Si4 tetrahedra, edges with two equivalent PtEr4Si4 tetrahedra, edges with four equivalent SiEr4Pt4 tetrahedra, and faces with four equivalent SiEr4Pt4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Er and five Pt atoms.},
doi = {10.17188/1732411},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}