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Title: Materials Data on CeGePt by Materials Project

Abstract

CePtGe crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are a spread of Ce–Pt bond distances ranging from 3.01–3.26 Å. There are a spread of Ce–Ge bond distances ranging from 3.12–3.30 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are two shorter (3.13 Å) and four longer (3.22 Å) Ce–Pt bond lengths. There are two shorter (3.26 Å) and four longer (3.27 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are four shorter (3.26 Å) and two longer (3.32 Å) Ce–Pt bond lengths. There are four shorter (3.10 Å) and two longer (3.14 Å) Ce–Ge bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to six Ce, one Pt, and three Ge atoms. The Pt–Pt bond length is 3.20 Å. There are two shorter (2.60 Å) and one longer (2.63 Å)more » Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.62–2.95 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three Pt, and one Ge atom. The Ge–Ge bond length is 2.79 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ce and four Pt atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-627355
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; CeGePt; Ce-Ge-Pt
OSTI Identifier:
1278874
DOI:
10.17188/1278874

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeGePt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278874.
Persson, Kristin, & Project, Materials. Materials Data on CeGePt by Materials Project. United States. doi:10.17188/1278874.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeGePt by Materials Project". United States. doi:10.17188/1278874. https://www.osti.gov/servlets/purl/1278874. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1278874,
title = {Materials Data on CeGePt by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CePtGe crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are a spread of Ce–Pt bond distances ranging from 3.01–3.26 Å. There are a spread of Ce–Ge bond distances ranging from 3.12–3.30 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are two shorter (3.13 Å) and four longer (3.22 Å) Ce–Pt bond lengths. There are two shorter (3.26 Å) and four longer (3.27 Å) Ce–Ge bond lengths. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are four shorter (3.26 Å) and two longer (3.32 Å) Ce–Pt bond lengths. There are four shorter (3.10 Å) and two longer (3.14 Å) Ce–Ge bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to six Ce, one Pt, and three Ge atoms. The Pt–Pt bond length is 3.20 Å. There are two shorter (2.60 Å) and one longer (2.63 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.62–2.95 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three Pt, and one Ge atom. The Ge–Ge bond length is 2.79 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ce and four Pt atoms.},
doi = {10.17188/1278874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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