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Title: Materials Data on ScCuGe by Materials Project

Abstract

ScCuGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 9-coordinate geometry to six equivalent Cu and three equivalent Ge atoms. All Sc–Cu bond lengths are 2.96 Å. All Sc–Ge bond lengths are 2.64 Å. In the second Sc site, Sc is bonded in a 9-coordinate geometry to three equivalent Cu and six equivalent Ge atoms. All Sc–Cu bond lengths are 2.80 Å. All Sc–Ge bond lengths are 2.70 Å. Cu is bonded in a 5-coordinate geometry to five Sc atoms. Ge is bonded to four Sc atoms to form a mixture of distorted edge and corner-sharing GeSc4 tetrahedra.

Publication Date:
Other Number(s):
mp-1206358
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; ScCuGe; Cu-Ge-Sc
OSTI Identifier:
1722342
DOI:
https://doi.org/10.17188/1722342

Citation Formats

The Materials Project. Materials Data on ScCuGe by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722342.
The Materials Project. Materials Data on ScCuGe by Materials Project. United States. doi:https://doi.org/10.17188/1722342
The Materials Project. 2019. "Materials Data on ScCuGe by Materials Project". United States. doi:https://doi.org/10.17188/1722342. https://www.osti.gov/servlets/purl/1722342. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1722342,
title = {Materials Data on ScCuGe by Materials Project},
author = {The Materials Project},
abstractNote = {ScCuGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 9-coordinate geometry to six equivalent Cu and three equivalent Ge atoms. All Sc–Cu bond lengths are 2.96 Å. All Sc–Ge bond lengths are 2.64 Å. In the second Sc site, Sc is bonded in a 9-coordinate geometry to three equivalent Cu and six equivalent Ge atoms. All Sc–Cu bond lengths are 2.80 Å. All Sc–Ge bond lengths are 2.70 Å. Cu is bonded in a 5-coordinate geometry to five Sc atoms. Ge is bonded to four Sc atoms to form a mixture of distorted edge and corner-sharing GeSc4 tetrahedra.},
doi = {10.17188/1722342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}