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Title: Materials Data on CuGe3 by Materials Project

Abstract

Ge3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu is bonded to twelve Ge atoms to form CuGe12 cuboctahedra that share corners with four equivalent CuGe12 cuboctahedra, corners with eight equivalent GeCu4Ge8 cuboctahedra, edges with eight equivalent CuGe12 cuboctahedra, edges with sixteen equivalent GeCu4Ge8 cuboctahedra, faces with four equivalent CuGe12 cuboctahedra, and faces with fourteen GeCu4Ge8 cuboctahedra. There are four shorter (2.83 Å) and eight longer (2.95 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Cu and eight Ge atoms to form GeCu4Ge8 cuboctahedra that share corners with twelve equivalent GeCu4Ge8 cuboctahedra, edges with eight equivalent CuGe12 cuboctahedra, edges with sixteen GeCu4Ge8 cuboctahedra, faces with four equivalent CuGe12 cuboctahedra, and faces with fourteen GeCu4Ge8 cuboctahedra. There are four shorter (2.83 Å) and four longer (2.95 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Cu and eight equivalent Ge atoms to form distorted GeCu4Ge8 cuboctahedra that share corners with four equivalent GeCu4Ge8 cuboctahedra, corners with eight equivalent CuGe12 cuboctahedra, edges with twenty-four GeCu4Ge8 cuboctahedra, faces with six equivalent CuGe12 cuboctahedra, and facesmore » with twelve GeCu4Ge8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1184183
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; CuGe3; Cu-Ge
OSTI Identifier:
1718362
DOI:
https://doi.org/10.17188/1718362

Citation Formats

The Materials Project. Materials Data on CuGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718362.
The Materials Project. Materials Data on CuGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1718362
The Materials Project. 2020. "Materials Data on CuGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1718362. https://www.osti.gov/servlets/purl/1718362. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718362,
title = {Materials Data on CuGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu is bonded to twelve Ge atoms to form CuGe12 cuboctahedra that share corners with four equivalent CuGe12 cuboctahedra, corners with eight equivalent GeCu4Ge8 cuboctahedra, edges with eight equivalent CuGe12 cuboctahedra, edges with sixteen equivalent GeCu4Ge8 cuboctahedra, faces with four equivalent CuGe12 cuboctahedra, and faces with fourteen GeCu4Ge8 cuboctahedra. There are four shorter (2.83 Å) and eight longer (2.95 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Cu and eight Ge atoms to form GeCu4Ge8 cuboctahedra that share corners with twelve equivalent GeCu4Ge8 cuboctahedra, edges with eight equivalent CuGe12 cuboctahedra, edges with sixteen GeCu4Ge8 cuboctahedra, faces with four equivalent CuGe12 cuboctahedra, and faces with fourteen GeCu4Ge8 cuboctahedra. There are four shorter (2.83 Å) and four longer (2.95 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Cu and eight equivalent Ge atoms to form distorted GeCu4Ge8 cuboctahedra that share corners with four equivalent GeCu4Ge8 cuboctahedra, corners with eight equivalent CuGe12 cuboctahedra, edges with twenty-four GeCu4Ge8 cuboctahedra, faces with six equivalent CuGe12 cuboctahedra, and faces with twelve GeCu4Ge8 cuboctahedra.},
doi = {10.17188/1718362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}