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

Abstract

CePt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.26 Å) and four longer (3.28 Å) Ce–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ and four equivalent Si atoms. All Pt–Si bond lengths are 2.50 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce4+ and five Si atoms. There are one shorter (2.42 Å) and four longer (2.44 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra. In the second Si site, Si is bonded in a 5-coordinate geometry to five Pt2- atoms.

Publication Date:
Other Number(s):
mp-22438
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; Ce(SiPt)2; Ce-Pt-Si
OSTI Identifier:
1197649
DOI:
https://doi.org/10.17188/1197649

Citation Formats

The Materials Project. Materials Data on Ce(SiPt)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197649.
The Materials Project. Materials Data on Ce(SiPt)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197649
The Materials Project. 2020. "Materials Data on Ce(SiPt)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197649. https://www.osti.gov/servlets/purl/1197649. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197649,
title = {Materials Data on Ce(SiPt)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CePt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.26 Å) and four longer (3.28 Å) Ce–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ and four equivalent Si atoms. All Pt–Si bond lengths are 2.50 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Ce4+ and five Si atoms. There are one shorter (2.42 Å) and four longer (2.44 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra. In the second Si site, Si is bonded in a 5-coordinate geometry to five Pt2- atoms.},
doi = {10.17188/1197649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}