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Title: Materials Data on Sc(CrGe)6 by Materials Project

Abstract

Sc(CrGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to eight Ge atoms to form edge-sharing ScGe8 hexagonal bipyramids. There are two shorter (2.85 Å) and six longer (2.92 Å) Sc–Ge bond lengths. Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.53–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Cr atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Cr atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Sc, six equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

Authors:
Publication Date:
Other Number(s):
mp-1103749
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; Sc(CrGe)6; Cr-Ge-Sc
OSTI Identifier:
1689634
DOI:
https://doi.org/10.17188/1689634

Citation Formats

The Materials Project. Materials Data on Sc(CrGe)6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1689634.
The Materials Project. Materials Data on Sc(CrGe)6 by Materials Project. United States. doi:https://doi.org/10.17188/1689634
The Materials Project. 2018. "Materials Data on Sc(CrGe)6 by Materials Project". United States. doi:https://doi.org/10.17188/1689634. https://www.osti.gov/servlets/purl/1689634. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1689634,
title = {Materials Data on Sc(CrGe)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc(CrGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to eight Ge atoms to form edge-sharing ScGe8 hexagonal bipyramids. There are two shorter (2.85 Å) and six longer (2.92 Å) Sc–Ge bond lengths. Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.53–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Cr atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Cr atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Sc, six equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.61 Å.},
doi = {10.17188/1689634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}