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Title: Materials Data on Zr2Cu by Materials Project

Abstract

Zr2Cu crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Cu atoms. There are a spread of Zr–Cu bond distances ranging from 2.78–3.12 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Cu atoms. There are two shorter (2.70 Å) and one longer (3.08 Å) Zr–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to eight Zr and one Cu atom. The Cu–Cu bond length is 2.50 Å.

Publication Date:
Other Number(s):
mp-1077372
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; Zr2Cu; Cu-Zr
OSTI Identifier:
1710341
DOI:
https://doi.org/10.17188/1710341

Citation Formats

The Materials Project. Materials Data on Zr2Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710341.
The Materials Project. Materials Data on Zr2Cu by Materials Project. United States. doi:https://doi.org/10.17188/1710341
The Materials Project. 2020. "Materials Data on Zr2Cu by Materials Project". United States. doi:https://doi.org/10.17188/1710341. https://www.osti.gov/servlets/purl/1710341. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1710341,
title = {Materials Data on Zr2Cu by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2Cu crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Cu atoms. There are a spread of Zr–Cu bond distances ranging from 2.78–3.12 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Cu atoms. There are two shorter (2.70 Å) and one longer (3.08 Å) Zr–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to eight Zr and one Cu atom. The Cu–Cu bond length is 2.50 Å.},
doi = {10.17188/1710341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}