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Title: Materials Data on NaCu3 by Materials Project

Abstract

NaCu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Cu atoms to form a mixture of edge, face, and corner-sharing NaCu12 cuboctahedra. There are four shorter (2.69 Å) and eight longer (2.72 Å) Na–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Na atoms to form a mixture of distorted edge and corner-sharing CuNa4 cuboctahedra. In the second Cu site, Cu is bonded in a distorted square co-planar geometry to four equivalent Na atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1316415
Report Number(s):
mp-982381
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; NaCu3; Cu-Na

Citation Formats

The Materials Project. Materials Data on NaCu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316415.
The Materials Project. Materials Data on NaCu3 by Materials Project. United States. https://doi.org/10.17188/1316415
The Materials Project. 2020. "Materials Data on NaCu3 by Materials Project". United States. https://doi.org/10.17188/1316415. https://www.osti.gov/servlets/purl/1316415.
@article{osti_1316415,
title = {Materials Data on NaCu3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Cu atoms to form a mixture of edge, face, and corner-sharing NaCu12 cuboctahedra. There are four shorter (2.69 Å) and eight longer (2.72 Å) Na–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Na atoms to form a mixture of distorted edge and corner-sharing CuNa4 cuboctahedra. In the second Cu site, Cu is bonded in a distorted square co-planar geometry to four equivalent Na atoms.},
doi = {10.17188/1316415},
url = {https://www.osti.gov/biblio/1316415}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}