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Title: Materials Data on PrNd3 by Materials Project

Abstract

Nd3Pr is Copper-derived 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 Pr atoms to form NdPr4Nd8 cuboctahedra that share corners with twelve equivalent NdPr4Nd8 cuboctahedra, edges with eight equivalent PrNd12 cuboctahedra, edges with sixteen NdPr4Nd8 cuboctahedra, faces with four equivalent PrNd12 cuboctahedra, and faces with fourteen NdPr4Nd8 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.69 Å) Nd–Nd bond lengths. All Nd–Pr bond lengths are 3.69 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Pr atoms to form NdPr4Nd8 cuboctahedra that share corners with four equivalent NdPr4Nd8 cuboctahedra, corners with eight equivalent PrNd12 cuboctahedra, edges with twenty-four NdPr4Nd8 cuboctahedra, faces with six equivalent PrNd12 cuboctahedra, and faces with twelve NdPr4Nd8 cuboctahedra. All Nd–Pr bond lengths are 3.68 Å. Pr is bonded to twelve Nd atoms to form PrNd12 cuboctahedra that share corners with four equivalent PrNd12 cuboctahedra, corners with eight equivalent NdPr4Nd8 cuboctahedra, edges with eight equivalent PrNd12 cuboctahedra, edges with sixteen equivalent NdPr4Nd8 cuboctahedra, faces with four equivalent PrNd12 cuboctahedra, and faces with fourteenmore » NdPr4Nd8 cuboctahedra.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1314903
Report Number(s):
mp-975887
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; PrNd3; Nd-Pr

Citation Formats

The Materials Project. Materials Data on PrNd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314903.
The Materials Project. Materials Data on PrNd3 by Materials Project. United States. https://doi.org/10.17188/1314903
The Materials Project. Thu . "Materials Data on PrNd3 by Materials Project". United States. https://doi.org/10.17188/1314903. https://www.osti.gov/servlets/purl/1314903.
@article{osti_1314903,
title = {Materials Data on PrNd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Pr is Copper-derived 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 Pr atoms to form NdPr4Nd8 cuboctahedra that share corners with twelve equivalent NdPr4Nd8 cuboctahedra, edges with eight equivalent PrNd12 cuboctahedra, edges with sixteen NdPr4Nd8 cuboctahedra, faces with four equivalent PrNd12 cuboctahedra, and faces with fourteen NdPr4Nd8 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.69 Å) Nd–Nd bond lengths. All Nd–Pr bond lengths are 3.69 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Pr atoms to form NdPr4Nd8 cuboctahedra that share corners with four equivalent NdPr4Nd8 cuboctahedra, corners with eight equivalent PrNd12 cuboctahedra, edges with twenty-four NdPr4Nd8 cuboctahedra, faces with six equivalent PrNd12 cuboctahedra, and faces with twelve NdPr4Nd8 cuboctahedra. All Nd–Pr bond lengths are 3.68 Å. Pr is bonded to twelve Nd atoms to form PrNd12 cuboctahedra that share corners with four equivalent PrNd12 cuboctahedra, corners with eight equivalent NdPr4Nd8 cuboctahedra, edges with eight equivalent PrNd12 cuboctahedra, edges with sixteen equivalent NdPr4Nd8 cuboctahedra, faces with four equivalent PrNd12 cuboctahedra, and faces with fourteen NdPr4Nd8 cuboctahedra.},
doi = {10.17188/1314903},
url = {https://www.osti.gov/biblio/1314903}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}