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Title: Materials Data on CdCu2 by Materials Project

Abstract

Cu2Cd is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Cu and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CuCd6Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.49 Å. All Cu–Cd bond lengths are 2.97 Å. In the second Cu site, Cu is bonded to six Cu and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CuCd6Cu6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.57 Å) Cu–Cu bond lengths. There are two shorter (2.88 Å) and four longer (2.95 Å) Cu–Cd bond lengths. Cd is bonded in a 12-coordinate geometry to twelve Cu and four equivalent Cd atoms. There are one shorter (3.02 Å) and three longer (3.09 Å) Cd–Cd bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-16775
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; CdCu2; Cd-Cu
OSTI Identifier:
1192158
DOI:
https://doi.org/10.17188/1192158

Citation Formats

The Materials Project. Materials Data on CdCu2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192158.
The Materials Project. Materials Data on CdCu2 by Materials Project. United States. doi:https://doi.org/10.17188/1192158
The Materials Project. 2020. "Materials Data on CdCu2 by Materials Project". United States. doi:https://doi.org/10.17188/1192158. https://www.osti.gov/servlets/purl/1192158. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192158,
title = {Materials Data on CdCu2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2Cd is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Cu and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CuCd6Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.49 Å. All Cu–Cd bond lengths are 2.97 Å. In the second Cu site, Cu is bonded to six Cu and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CuCd6Cu6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.57 Å) Cu–Cu bond lengths. There are two shorter (2.88 Å) and four longer (2.95 Å) Cu–Cd bond lengths. Cd is bonded in a 12-coordinate geometry to twelve Cu and four equivalent Cd atoms. There are one shorter (3.02 Å) and three longer (3.09 Å) Cd–Cd bond lengths.},
doi = {10.17188/1192158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}