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Title: Materials Data on Nd3Tm by Materials Project

Abstract

TmNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Nd atoms to form TmNd12 cuboctahedra that share corners with six equivalent TmNd12 cuboctahedra, corners with twelve equivalent NdNd8Tm4 cuboctahedra, edges with eighteen equivalent NdNd8Tm4 cuboctahedra, faces with eight equivalent TmNd12 cuboctahedra, and faces with twelve equivalent NdNd8Tm4 cuboctahedra. There are six shorter (3.64 Å) and six longer (3.66 Å) Tm–Nd bond lengths. Nd is bonded to four equivalent Tm and eight equivalent Nd atoms to form NdNd8Tm4 cuboctahedra that share corners with four equivalent TmNd12 cuboctahedra, corners with fourteen equivalent NdNd8Tm4 cuboctahedra, edges with six equivalent TmNd12 cuboctahedra, edges with twelve equivalent NdNd8Tm4 cuboctahedra, faces with four equivalent TmNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Tm4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.63–3.69 Å.

Authors:
Publication Date:
Other Number(s):
mp-1186286
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; Nd3Tm; Nd-Tm
OSTI Identifier:
1736439
DOI:
https://doi.org/10.17188/1736439

Citation Formats

The Materials Project. Materials Data on Nd3Tm by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736439.
The Materials Project. Materials Data on Nd3Tm by Materials Project. United States. doi:https://doi.org/10.17188/1736439
The Materials Project. 2020. "Materials Data on Nd3Tm by Materials Project". United States. doi:https://doi.org/10.17188/1736439. https://www.osti.gov/servlets/purl/1736439. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1736439,
title = {Materials Data on Nd3Tm by Materials Project},
author = {The Materials Project},
abstractNote = {TmNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Nd atoms to form TmNd12 cuboctahedra that share corners with six equivalent TmNd12 cuboctahedra, corners with twelve equivalent NdNd8Tm4 cuboctahedra, edges with eighteen equivalent NdNd8Tm4 cuboctahedra, faces with eight equivalent TmNd12 cuboctahedra, and faces with twelve equivalent NdNd8Tm4 cuboctahedra. There are six shorter (3.64 Å) and six longer (3.66 Å) Tm–Nd bond lengths. Nd is bonded to four equivalent Tm and eight equivalent Nd atoms to form NdNd8Tm4 cuboctahedra that share corners with four equivalent TmNd12 cuboctahedra, corners with fourteen equivalent NdNd8Tm4 cuboctahedra, edges with six equivalent TmNd12 cuboctahedra, edges with twelve equivalent NdNd8Tm4 cuboctahedra, faces with four equivalent TmNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Tm4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.63–3.69 Å.},
doi = {10.17188/1736439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}