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Title: Materials Data on CeSiPt3 by Materials Project

Abstract

CePt3Si crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one CePt3Si sheet oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ce–Si bond lengths are 3.26 Å. There are two inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.41 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a single-bond geometry to one Si4- atom. The Pt–Si bond length is 2.31 Å. Si4- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and five Pt+0.33+ atoms.

Publication Date:
Other Number(s):
mp-1207119
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; CeSiPt3; Ce-Pt-Si
OSTI Identifier:
1677893
DOI:
https://doi.org/10.17188/1677893

Citation Formats

The Materials Project. Materials Data on CeSiPt3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677893.
The Materials Project. Materials Data on CeSiPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1677893
The Materials Project. 2019. "Materials Data on CeSiPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1677893. https://www.osti.gov/servlets/purl/1677893. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677893,
title = {Materials Data on CeSiPt3 by Materials Project},
author = {The Materials Project},
abstractNote = {CePt3Si crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one CePt3Si sheet oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ce–Si bond lengths are 3.26 Å. There are two inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.41 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a single-bond geometry to one Si4- atom. The Pt–Si bond length is 2.31 Å. Si4- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and five Pt+0.33+ atoms.},
doi = {10.17188/1677893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}