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Title: Materials Data on Gd3(CuGe)4 by Materials Project

Abstract

Gd3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.03 Å) and two longer (3.10 Å) Gd–Cu bond lengths. There are two shorter (3.03 Å) and four longer (3.10 Å) Gd–Ge bond lengths. In the second Gd site, Gd is bonded to six Ge atoms to form distorted edge-sharing GdGe6 octahedra. There are four shorter (2.97 Å) and two longer (3.05 Å) Gd–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Gd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.52–2.64 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Gd, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Gd and six equivalent Cu atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-621619
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; Gd3(CuGe)4; Cu-Gd-Ge
OSTI Identifier:
1278052
DOI:
10.17188/1278052

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd3(CuGe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278052.
Persson, Kristin, & Project, Materials. Materials Data on Gd3(CuGe)4 by Materials Project. United States. doi:10.17188/1278052.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Gd3(CuGe)4 by Materials Project". United States. doi:10.17188/1278052. https://www.osti.gov/servlets/purl/1278052. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1278052,
title = {Materials Data on Gd3(CuGe)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Gd3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.03 Å) and two longer (3.10 Å) Gd–Cu bond lengths. There are two shorter (3.03 Å) and four longer (3.10 Å) Gd–Ge bond lengths. In the second Gd site, Gd is bonded to six Ge atoms to form distorted edge-sharing GdGe6 octahedra. There are four shorter (2.97 Å) and two longer (3.05 Å) Gd–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Gd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.52–2.64 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Gd, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Gd and six equivalent Cu atoms.},
doi = {10.17188/1278052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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