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Title: Materials Data on Cu3Ge by Materials Project

Abstract

Cu3Ge is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to eight equivalent Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with eight equivalent GeCu12 cuboctahedra, corners with ten CuCu8Ge4 cuboctahedra, edges with eighteen CuCu8Ge4 cuboctahedra, faces with six equivalent GeCu12 cuboctahedra, and faces with fourteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.61–2.65 Å. There are two shorter (2.63 Å) and two longer (2.66 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded to eight Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with four equivalent GeCu12 cuboctahedra, corners with fourteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve CuCu8Ge4 cuboctahedra, faces with four equivalent GeCu12 cuboctahedra, and faces with sixteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.59–2.67 Å. There are three shorter (2.60 Å) and one longer (2.67 Å) Cu–Ge bond lengths. Ge is bonded to twelve Cu atoms to form GeCu12 cuboctahedra that share corners with two equivalent GeCu12more » cuboctahedra, corners with sixteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve equivalent CuCu8Ge4 cuboctahedra, faces with six equivalent GeCu12 cuboctahedra, and faces with fourteen CuCu8Ge4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-19724
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; Cu3Ge; Cu-Ge
OSTI Identifier:
1194932
DOI:
https://doi.org/10.17188/1194932

Citation Formats

The Materials Project. Materials Data on Cu3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194932.
The Materials Project. Materials Data on Cu3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1194932
The Materials Project. 2020. "Materials Data on Cu3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1194932. https://www.osti.gov/servlets/purl/1194932. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194932,
title = {Materials Data on Cu3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3Ge is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to eight equivalent Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with eight equivalent GeCu12 cuboctahedra, corners with ten CuCu8Ge4 cuboctahedra, edges with eighteen CuCu8Ge4 cuboctahedra, faces with six equivalent GeCu12 cuboctahedra, and faces with fourteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.61–2.65 Å. There are two shorter (2.63 Å) and two longer (2.66 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded to eight Cu and four equivalent Ge atoms to form CuCu8Ge4 cuboctahedra that share corners with four equivalent GeCu12 cuboctahedra, corners with fourteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve CuCu8Ge4 cuboctahedra, faces with four equivalent GeCu12 cuboctahedra, and faces with sixteen CuCu8Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.59–2.67 Å. There are three shorter (2.60 Å) and one longer (2.67 Å) Cu–Ge bond lengths. Ge is bonded to twelve Cu atoms to form GeCu12 cuboctahedra that share corners with two equivalent GeCu12 cuboctahedra, corners with sixteen CuCu8Ge4 cuboctahedra, edges with six equivalent GeCu12 cuboctahedra, edges with twelve equivalent CuCu8Ge4 cuboctahedra, faces with six equivalent GeCu12 cuboctahedra, and faces with fourteen CuCu8Ge4 cuboctahedra.},
doi = {10.17188/1194932},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}