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Title: Materials Data on NaCd3 by Materials Project

Abstract

NaCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Cd atoms to form NaCd12 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with twenty-four CdNa4Cd4 cuboctahedra, edges with eight equivalent NaCd12 cuboctahedra, edges with eight equivalent CdNa4Cd4 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with six equivalent CdNa4Cd8 cuboctahedra. There are eight shorter (3.22 Å) and four longer (3.25 Å) Na–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and four equivalent Cd atoms to form distorted CdNa4Cd4 cuboctahedra that share corners with eight equivalent NaCd12 cuboctahedra, corners with sixteen CdNa4Cd4 cuboctahedra, edges with four equivalent NaCd12 cuboctahedra, edges with sixteen CdNa4Cd4 cuboctahedra, and faces with six equivalent CdNa4Cd4 cuboctahedra. All Cd–Cd bond lengths are 3.22 Å. In the second Cd site, Cd is bonded to four equivalent Na and eight equivalent Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with eight equivalent NaCd12 cuboctahedra, corners with twenty CdNa4Cd4 cuboctahedra, edges with sixteen CdNa4Cd4 cuboctahedra, faces with four equivalent CdNa4Cd8 cuboctahedra, and faces with six equivalent NaCd12 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1186127
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; NaCd3; Cd-Na
OSTI Identifier:
1740607
DOI:
https://doi.org/10.17188/1740607

Citation Formats

The Materials Project. Materials Data on NaCd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740607.
The Materials Project. Materials Data on NaCd3 by Materials Project. United States. doi:https://doi.org/10.17188/1740607
The Materials Project. 2020. "Materials Data on NaCd3 by Materials Project". United States. doi:https://doi.org/10.17188/1740607. https://www.osti.gov/servlets/purl/1740607. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740607,
title = {Materials Data on NaCd3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Cd atoms to form NaCd12 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with twenty-four CdNa4Cd4 cuboctahedra, edges with eight equivalent NaCd12 cuboctahedra, edges with eight equivalent CdNa4Cd4 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with six equivalent CdNa4Cd8 cuboctahedra. There are eight shorter (3.22 Å) and four longer (3.25 Å) Na–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and four equivalent Cd atoms to form distorted CdNa4Cd4 cuboctahedra that share corners with eight equivalent NaCd12 cuboctahedra, corners with sixteen CdNa4Cd4 cuboctahedra, edges with four equivalent NaCd12 cuboctahedra, edges with sixteen CdNa4Cd4 cuboctahedra, and faces with six equivalent CdNa4Cd4 cuboctahedra. All Cd–Cd bond lengths are 3.22 Å. In the second Cd site, Cd is bonded to four equivalent Na and eight equivalent Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with eight equivalent NaCd12 cuboctahedra, corners with twenty CdNa4Cd4 cuboctahedra, edges with sixteen CdNa4Cd4 cuboctahedra, faces with four equivalent CdNa4Cd8 cuboctahedra, and faces with six equivalent NaCd12 cuboctahedra.},
doi = {10.17188/1740607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}