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Title: Materials Data on Nd3(CuGe)4 by Materials Project

Abstract

Nd3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.07 Å) and two longer (3.15 Å) Nd–Cu bond lengths. There are two shorter (3.07 Å) and four longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded to eight equivalent Cu and six Ge atoms to form distorted face-sharing NdCu8Ge6 octahedra. All Nd–Cu bond lengths are 3.46 Å. There are four shorter (3.01 Å) and two longer (3.10 Å) Nd–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to five Nd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.51 Å. There are a spread of Cu–Ge bond distances ranging from 2.53–2.71 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, 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 Nd and six equivalent Cu atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505292
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; Nd3(CuGe)4; Cu-Ge-Nd
OSTI Identifier:
1262418
DOI:
10.17188/1262418

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nd3(CuGe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262418.
Persson, Kristin, & Project, Materials. Materials Data on Nd3(CuGe)4 by Materials Project. United States. doi:10.17188/1262418.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nd3(CuGe)4 by Materials Project". United States. doi:10.17188/1262418. https://www.osti.gov/servlets/purl/1262418. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262418,
title = {Materials Data on Nd3(CuGe)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nd3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.07 Å) and two longer (3.15 Å) Nd–Cu bond lengths. There are two shorter (3.07 Å) and four longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded to eight equivalent Cu and six Ge atoms to form distorted face-sharing NdCu8Ge6 octahedra. All Nd–Cu bond lengths are 3.46 Å. There are four shorter (3.01 Å) and two longer (3.10 Å) Nd–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to five Nd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.51 Å. There are a spread of Cu–Ge bond distances ranging from 2.53–2.71 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, 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 Nd and six equivalent Cu atoms.},
doi = {10.17188/1262418},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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