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Title: Materials Data on CePt2Au3 by Materials Project

Abstract

CePt2Au3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ce3+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. There are two shorter (3.15 Å) and four longer (3.24 Å) Ce–Pt bond lengths. Pt2- is bonded to three equivalent Ce3+, two equivalent Pt2-, and seven Au+0.33+ atoms to form a mixture of face, edge, and corner-sharing PtCe3Pt2Au7 cuboctahedra. There are one shorter (2.76 Å) and one longer (2.78 Å) Pt–Pt bond lengths. There are a spread of Pt–Au bond distances ranging from 2.73–3.22 Å. There are two inequivalent Au+0.33+ sites. In the first Au+0.33+ site, Au+0.33+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. In the second Au+0.33+ site, Au+0.33+ is bonded in a 6-coordinate geometry to four equivalent Pt2- and two equivalent Au+0.33+ atoms. There are one shorter (2.73 Å) and one longer (2.75 Å) Au–Au bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1226653
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; CePt2Au3; Au-Ce-Pt
OSTI Identifier:
1747993
DOI:
https://doi.org/10.17188/1747993

Citation Formats

The Materials Project. Materials Data on CePt2Au3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747993.
The Materials Project. Materials Data on CePt2Au3 by Materials Project. United States. doi:https://doi.org/10.17188/1747993
The Materials Project. 2020. "Materials Data on CePt2Au3 by Materials Project". United States. doi:https://doi.org/10.17188/1747993. https://www.osti.gov/servlets/purl/1747993. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1747993,
title = {Materials Data on CePt2Au3 by Materials Project},
author = {The Materials Project},
abstractNote = {CePt2Au3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ce3+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. There are two shorter (3.15 Å) and four longer (3.24 Å) Ce–Pt bond lengths. Pt2- is bonded to three equivalent Ce3+, two equivalent Pt2-, and seven Au+0.33+ atoms to form a mixture of face, edge, and corner-sharing PtCe3Pt2Au7 cuboctahedra. There are one shorter (2.76 Å) and one longer (2.78 Å) Pt–Pt bond lengths. There are a spread of Pt–Au bond distances ranging from 2.73–3.22 Å. There are two inequivalent Au+0.33+ sites. In the first Au+0.33+ site, Au+0.33+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. In the second Au+0.33+ site, Au+0.33+ is bonded in a 6-coordinate geometry to four equivalent Pt2- and two equivalent Au+0.33+ atoms. There are one shorter (2.73 Å) and one longer (2.75 Å) Au–Au bond lengths.},
doi = {10.17188/1747993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}