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Title: Materials Data on ZrCu3 by Materials Project

Abstract

ZrCu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Cu atoms to form a mixture of face and corner-sharing ZrCu12 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.83 Å) Zr–Cu bond lengths. Cu is bonded in a 12-coordinate geometry to four equivalent Zr and eight equivalent Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–3.09 Å.

Authors:
Publication Date:
Other Number(s):
mp-1188040
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; ZrCu3; Cu-Zr
OSTI Identifier:
1681550
DOI:
https://doi.org/10.17188/1681550

Citation Formats

The Materials Project. Materials Data on ZrCu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681550.
The Materials Project. Materials Data on ZrCu3 by Materials Project. United States. doi:https://doi.org/10.17188/1681550
The Materials Project. 2020. "Materials Data on ZrCu3 by Materials Project". United States. doi:https://doi.org/10.17188/1681550. https://www.osti.gov/servlets/purl/1681550. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1681550,
title = {Materials Data on ZrCu3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrCu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Cu atoms to form a mixture of face and corner-sharing ZrCu12 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.83 Å) Zr–Cu bond lengths. Cu is bonded in a 12-coordinate geometry to four equivalent Zr and eight equivalent Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–3.09 Å.},
doi = {10.17188/1681550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}