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Title: Materials Data on Nd3Cd by Materials Project

Abstract

Nd3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Nd and four equivalent Cd atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with twelve equivalent NdNd8Cd4 cuboctahedra, edges with eight equivalent CdNd12 cuboctahedra, edges with sixteen NdNd8Cd4 cuboctahedra, faces with four equivalent CdNd12 cuboctahedra, and faces with fourteen NdNd8Cd4 cuboctahedra. There are four shorter (3.50 Å) and four longer (3.55 Å) Nd–Nd bond lengths. All Nd–Cd bond lengths are 3.55 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Cd atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with four equivalent NdNd8Cd4 cuboctahedra, corners with eight equivalent CdNd12 cuboctahedra, edges with twenty-four NdNd8Cd4 cuboctahedra, faces with six equivalent CdNd12 cuboctahedra, and faces with twelve NdNd8Cd4 cuboctahedra. All Nd–Cd bond lengths are 3.50 Å. Cd is bonded to twelve Nd atoms to form CdNd12 cuboctahedra that share corners with four equivalent CdNd12 cuboctahedra, corners with eight equivalent NdNd8Cd4 cuboctahedra, edges with eight equivalent CdNd12 cuboctahedra, edges with sixteen equivalent NdNd8Cd4 cuboctahedra, faces with four equivalent CdNd12 cuboctahedra, andmore » faces with fourteen NdNd8Cd4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1186263
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; Nd3Cd; Cd-Nd
OSTI Identifier:
1677001
DOI:
https://doi.org/10.17188/1677001

Citation Formats

The Materials Project. Materials Data on Nd3Cd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677001.
The Materials Project. Materials Data on Nd3Cd by Materials Project. United States. doi:https://doi.org/10.17188/1677001
The Materials Project. 2020. "Materials Data on Nd3Cd by Materials Project". United States. doi:https://doi.org/10.17188/1677001. https://www.osti.gov/servlets/purl/1677001. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677001,
title = {Materials Data on Nd3Cd by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Nd and four equivalent Cd atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with twelve equivalent NdNd8Cd4 cuboctahedra, edges with eight equivalent CdNd12 cuboctahedra, edges with sixteen NdNd8Cd4 cuboctahedra, faces with four equivalent CdNd12 cuboctahedra, and faces with fourteen NdNd8Cd4 cuboctahedra. There are four shorter (3.50 Å) and four longer (3.55 Å) Nd–Nd bond lengths. All Nd–Cd bond lengths are 3.55 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Cd atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with four equivalent NdNd8Cd4 cuboctahedra, corners with eight equivalent CdNd12 cuboctahedra, edges with twenty-four NdNd8Cd4 cuboctahedra, faces with six equivalent CdNd12 cuboctahedra, and faces with twelve NdNd8Cd4 cuboctahedra. All Nd–Cd bond lengths are 3.50 Å. Cd is bonded to twelve Nd atoms to form CdNd12 cuboctahedra that share corners with four equivalent CdNd12 cuboctahedra, corners with eight equivalent NdNd8Cd4 cuboctahedra, edges with eight equivalent CdNd12 cuboctahedra, edges with sixteen equivalent NdNd8Cd4 cuboctahedra, faces with four equivalent CdNd12 cuboctahedra, and faces with fourteen NdNd8Cd4 cuboctahedra.},
doi = {10.17188/1677001},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}