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Title: Materials Data on Nd by Materials Project

Abstract

Nd is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.66–3.71 Å. In the third Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. All Nd–Nd bond lengths are 3.71 Å. In the fourth Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the fifth Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are three shorter (3.69 Å) and six longer (3.71 Å) Nd–Nd bond lengths. Inmore » the sixth Nd site, Nd is bonded to sixteen Nd atoms to form a mixture of edge, face, and corner-sharing NdNd16 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.71–7.42 Å. In the seventh Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are three shorter (3.69 Å) and six longer (3.71 Å) Nd–Nd bond lengths.« less

Authors:
Publication Date:
Other Number(s):
mp-974788
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; Nd; Nd
OSTI Identifier:
1314643
DOI:
https://doi.org/10.17188/1314643

Citation Formats

The Materials Project. Materials Data on Nd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314643.
The Materials Project. Materials Data on Nd by Materials Project. United States. doi:https://doi.org/10.17188/1314643
The Materials Project. 2020. "Materials Data on Nd by Materials Project". United States. doi:https://doi.org/10.17188/1314643. https://www.osti.gov/servlets/purl/1314643. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1314643,
title = {Materials Data on Nd by Materials Project},
author = {The Materials Project},
abstractNote = {Nd is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.66–3.71 Å. In the third Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. All Nd–Nd bond lengths are 3.71 Å. In the fourth Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the fifth Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are three shorter (3.69 Å) and six longer (3.71 Å) Nd–Nd bond lengths. In the sixth Nd site, Nd is bonded to sixteen Nd atoms to form a mixture of edge, face, and corner-sharing NdNd16 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.71–7.42 Å. In the seventh Nd site, Nd is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing NdNd12 cuboctahedra. There are three shorter (3.69 Å) and six longer (3.71 Å) Nd–Nd bond lengths.},
doi = {10.17188/1314643},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}