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Title: Materials Data on Sc3(CuGe)4 by Materials Project

Abstract

Sc3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six Ge atoms to form edge-sharing ScGe6 octahedra. There are four shorter (2.85 Å) and two longer (2.89 Å) Sc–Ge bond lengths. In the second Sc site, Sc is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.91 Å) and two longer (2.97 Å) Sc–Cu bond lengths. There are two shorter (2.92 Å) and four longer (2.93 Å) Sc–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Sc, 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 2.42–2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Sc and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.53 Å.

Authors:
Publication Date:
Other Number(s):
mp-1102311
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; Sc3(CuGe)4; Cu-Ge-Sc
OSTI Identifier:
1684426
DOI:
https://doi.org/10.17188/1684426

Citation Formats

The Materials Project. Materials Data on Sc3(CuGe)4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1684426.
The Materials Project. Materials Data on Sc3(CuGe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1684426
The Materials Project. 2018. "Materials Data on Sc3(CuGe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1684426. https://www.osti.gov/servlets/purl/1684426. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1684426,
title = {Materials Data on Sc3(CuGe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to six Ge atoms to form edge-sharing ScGe6 octahedra. There are four shorter (2.85 Å) and two longer (2.89 Å) Sc–Ge bond lengths. In the second Sc site, Sc is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.91 Å) and two longer (2.97 Å) Sc–Cu bond lengths. There are two shorter (2.92 Å) and four longer (2.93 Å) Sc–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Sc, 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 2.42–2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Sc and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.53 Å.},
doi = {10.17188/1684426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}