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Title: Materials Data on Ce3(AgGe)4 by Materials Project

Abstract

Ce3Ag4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.20 Å) and two longer (3.34 Å) Ce–Ag bond lengths. There are two shorter (3.19 Å) and four longer (3.20 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing CeAg8Ge6 octahedra. All Ce–Ag bond lengths are 3.60 Å. There are four shorter (3.21 Å) and two longer (3.22 Å) Ce–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to five Ce, one Ag, and four Ge atoms. The Ag–Ag bond length is 2.79 Å. There are a spread of Ag–Ge bond distances ranging from 2.63–2.80 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Ce and six equivalent Ag atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-640597
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; Ce3(AgGe)4; Ag-Ce-Ge
OSTI Identifier:
1279953
DOI:
10.17188/1279953

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce3(AgGe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279953.
Persson, Kristin, & Project, Materials. Materials Data on Ce3(AgGe)4 by Materials Project. United States. doi:10.17188/1279953.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce3(AgGe)4 by Materials Project". United States. doi:10.17188/1279953. https://www.osti.gov/servlets/purl/1279953. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1279953,
title = {Materials Data on Ce3(AgGe)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce3Ag4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.20 Å) and two longer (3.34 Å) Ce–Ag bond lengths. There are two shorter (3.19 Å) and four longer (3.20 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing CeAg8Ge6 octahedra. All Ce–Ag bond lengths are 3.60 Å. There are four shorter (3.21 Å) and two longer (3.22 Å) Ce–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to five Ce, one Ag, and four Ge atoms. The Ag–Ag bond length is 2.79 Å. There are a spread of Ag–Ge bond distances ranging from 2.63–2.80 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Ce and six equivalent Ag atoms.},
doi = {10.17188/1279953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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