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Title: Materials Data on Nd(Cd10Ni)2 by Materials Project

Abstract

Nd(NiCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.42 Å) and twelve longer (3.47 Å) Nd–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdNdCd10Ni cuboctahedra, and faces with six equivalent CdNdCd10Ni cuboctahedra. There are six shorter (2.80 Å) and six longer (3.08 Å) Ni–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.12 Å. In the second Cd site, Cd is bonded to one Nd, one Ni, and ten Cd atoms to form distorted CdNdCd10Ni cuboctahedra that share corners with fifteen equivalent CdNdCd10Ni cuboctahedra, edges with two equivalent CdNdCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdNdCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.92–3.36 Å. In the third Cd site, Cd is bonded in a distorted linearmore » geometry to two equivalent Nd and twelve equivalent Cd atoms.« less

Publication Date:
Other Number(s):
mp-1202765
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; Nd(Cd10Ni)2; Cd-Nd-Ni
OSTI Identifier:
1656049
DOI:
https://doi.org/10.17188/1656049

Citation Formats

The Materials Project. Materials Data on Nd(Cd10Ni)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656049.
The Materials Project. Materials Data on Nd(Cd10Ni)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656049
The Materials Project. 2020. "Materials Data on Nd(Cd10Ni)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656049. https://www.osti.gov/servlets/purl/1656049. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1656049,
title = {Materials Data on Nd(Cd10Ni)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd(NiCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.42 Å) and twelve longer (3.47 Å) Nd–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdNdCd10Ni cuboctahedra, and faces with six equivalent CdNdCd10Ni cuboctahedra. There are six shorter (2.80 Å) and six longer (3.08 Å) Ni–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.12 Å. In the second Cd site, Cd is bonded to one Nd, one Ni, and ten Cd atoms to form distorted CdNdCd10Ni cuboctahedra that share corners with fifteen equivalent CdNdCd10Ni cuboctahedra, edges with two equivalent CdNdCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdNdCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.92–3.36 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Nd and twelve equivalent Cd atoms.},
doi = {10.17188/1656049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}